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Benzotrifluoride. TOXNET profile from Hazardous Substances Data Base.


See for Updates: http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?HSDB

BENZOTRIFLUORIDE
CASRN: 98-08-8
For other data, click on the Table of Contents

Human Health Effects:

Human Toxicity Excerpts:

TOXIC BY INHALATION.
[Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977. 100]**PEER REVIEWED**

Drug Warnings:

Food and Environmental Agents: Effect on Breast-Feeding: Reported Sign or Symptom in Infant or Effect on Lactation: Fluorides: None. /from Table 7/
[Report of the American Academy of Pediatrics Committee on Drugs in Pediatrics 93 (1): 142 (1994)]**PEER REVIEWED**

 

Emergency Medical Treatment:

Emergency Medical Treatment:

 

EMT Copyright Disclaimer:
Portions of the POISINDEX(R) database are provided here for general reference. THE COMPLETE POISINDEX(R) DATABASE, AVAILABLE FROM MICROMEDEX, SHOULD BE CONSULTED FOR ASSISTANCE IN THE DIAGNOSIS OR TREATMENT OF SPECIFIC CASES. Copyright 1974-1998 Micromedex, Inc. Denver, Colorado. All Rights Reserved. Any duplication, replication or redistribution of all or part of the POISINDEX(R) database is a violation of Micromedex' copyrights and is strictly prohibited.

The following Overview, *** GENERAL OR UNKNOWN CHEMICAL ***, is relevant for this HSDB record chemical.

Life Support:
  o   This overview assumes that basic life support measures
      have been instituted.                           
Clinical Effects:
  SUMMARY OF EXPOSURE
   0.2.1.1 ACUTE EXPOSURE
     o   A SPECIFIC REVIEW on the clinical effects and treatment
         of individuals exposed to this agent HAS NOT YET BEEN
         PREPARED.  The following pertains to the GENERAL
         EVALUATION and TREATMENT of individuals exposed to
         potentially toxic chemicals.
     o   GENERAL EVALUATION -
      1.  Exposed individuals should have a careful, thorough
          medical history and physical examination performed,
          looking for any abnormalities.  Exposure to chemicals
          with a strong odor often results in such nonspecific
          symptoms as headache, dizziness, weakness, and nausea.
     o   IRRITATION -
      1.  Many chemicals cause irritation of the eyes, skin, and
          respiratory tract.  Respiratory tract irritation, if
          severe, can progress to pulmonary edema, which may be
          delayed in onset for up to 24 to 72 hours in some
          cases.
      2.  Irritation or burns of the esophagus or
          gastrointestinal tract are also possible if caustic or
          irritant chemicals are ingested.
     o   HYPERSENSITIVITY -
      1.  A number of chemical agents produce an allergic
          hypersensitivity dermatitis or asthma with
          bronchospasm and wheezing with chronic exposure.
Laboratory:
  o   A number of chemicals produce abnormalities of the
      hematopoietic system, liver, and kidneys.  Monitoring
      complete blood count, urinalysis, and liver and kidney
      function tests is suggested for patients with significant
      exposure.
  o   If respiratory tract irritation or respiratory depression
      is evident, monitor arterial blood gases, chest x-ray, and
      pulmonary function tests.                 
Treatment Overview:
  SUMMARY EXPOSURE
    o   A specific review on the clinical effects and treatment
        of individuals exposed to this agent has not yet been
        prepared.  The following pertains to the general
        evaluation and treatment of individuals exposed to
        potentially toxic chemicals.
    o   Move victims of inhalation exposure from the toxic
        environment and administer 100% humidified supplemental
        oxygen with assisted ventilation as required.  Exposed
        skin and eyes should be copiously flushed with water.
     1.  Rescuers must not enter areas with potential high
         airborne concentrations of this agent without
         SELF-CONTAINED BREATHING APPARATUS (SCBA) to avoid
         becoming secondary victims.
    o   Measures to decrease absorption may be useful.  The
        decision to induce or not to induce emesis in ingestions
        must be carefully considered.  If the patient has any
        signs of esophageal or gastrointestinal tract irritation
        or burns, or has evidence of a decreased sensorium, a
        depressed gag reflex, or impending shock, INDUCED EMESIS
        SHOULD BE AVOIDED.
  ORAL EXPOSURE
    o   GASTRIC LAVAGE
     1.  Significant esophageal or gastrointestinal tract
         irritation or burns may occur following ingestion.  The
         possible benefit of early removal of some ingested
         material by cautious gastric lavage must be weighed
         against potential complications of bleeding or
         perforation.
     2.  GASTRIC LAVAGE:  Consider after ingestion of a
         potentially life-threatening amount of poison if it can
         be performed soon after ingestion (generally within 1
         hour).  Protect airway by placement in Trendelenburg
         and left lateral decubitus position or by endotracheal
         intubation.  Control any seizures first.
      a.  CONTRAINDICATIONS:  Loss of airway protective reflexes
          or decreased level of consciousness in unintubated
          patients; following ingestion of corrosives;
          hydrocarbons (high aspiration potential); patients at
          risk of hemorrhage or gastrointestinal perforation;
          and trivial or non-toxic ingestion.
    o   ACTIVATED CHARCOAL
     1.  Activated charcoal binds most toxic agents and can
         decrease their systemic absorption if administered soon
         after ingestion.  In general, metals and acids are
         poorly bound and patients ingesting these materials
         will not likely benefit from activated charcoal
         administration.
      a.  Activated charcoal should not be given to patients
          ingesting strong acidic or basic caustic chemicals.
          Activated charcoal is also of unproven value in
          patients ingesting irritant chemicals, where it may
          obscure endoscopic findings when the procedure is
          justified.
     2.  ACTIVATED CHARCOAL:  Administer charcoal as slurry (240
         mL water/30 g charcoal).  Usual dose:  25 to 100 g in
         adults/adolescents, 25 to 50 g in children (1 to 12
         years), and 1 g/kg in infants less than 1 year old.
    o   DILUTION -
     1.  Immediate dilution with milk or water may be of benefit
         in caustic or irritant chemical ingestions.
     2.  DILUTION:  Following ingestion and/or prior to gastric
         evacuation, immediately dilute with 4 to 8 ounces (120
         to 240 mL) of milk or water (not to exceed 15 mL/kg in
         a child).
    o   IRRITATION -
     1.  Observe patients with ingestion carefully for the
         possible development of esophageal or gastrointestinal
         tract irritation or burns.  If signs or symptoms of
         esophageal irritation or burns are present, consider
         endoscopy to determine the extent of injury.
    o   OBSERVATION CRITERIA -
     1.  Carefully observe patients with ingestion exposure for
         the development of any systemic signs or symptoms and
         administer symptomatic treatment as necessary.
     2.  Patients symptomatic following exposure should be
         observed in a controlled setting until all signs and
         symptoms have fully resolved.
  INHALATION EXPOSURE
    o   DECONTAMINATION -
     1.  INHALATION:  Move patient to fresh air.  Monitor for
         respiratory distress.  If cough or difficulty breathing
         develops, evaluate for respiratory tract irritation,
         bronchitis, or pneumonitis.  Administer oxygen and
         assist ventilation as required.  Treat bronchospasm
         with beta2  agonist and corticosteroid aerosols.
    o   IRRITATION -
     1.  Respiratory tract irritation, if severe, can progress
         to pulmonary edema which may be delayed in onset up to
         24 to 72 hours after exposure in some cases.
    o   PULMONARY EDEMA/NON-CARDIOGENIC -
     1.  PULMONARY EDEMA (NONCARDIOGENIC):  Maintain ventilation
         and oxygenation and evaluate with frequent arterial
         blood gas or pulse oximetry monitoring.  Early use of
         PEEP and mechanical ventilation may be needed.
    o   BRONCHOSPASM -
     1.  If bronchospasm and wheezing occur, consider treatment
         with inhaled sympathomimetic agents.
    o   OBSERVATION CRITERIA -
     1.  Carefully observe patients with inhalation exposure for
         the development of any systemic signs or symptoms and
         administer symptomatic treatment as necessary.
     2.  Patients symptomatic following exposure should be
         observed in a controlled setting until all signs and
         symptoms have fully resolved.
  EYE EXPOSURE
    o   DECONTAMINATION:  Irrigate exposed eyes with copious
        amounts of tepid water for at least 15 minutes.  If
        irritation, pain, swelling, lacrimation, or photophobia
        persist, the patient should be seen in a health care
        facility.
  DERMAL EXPOSURE
    o   DERMAL DECONTAMINATION -
     1.  DECONTAMINATION:  Remove contaminated clothing and wash
         exposed  area thoroughly with soap and water.  A
         physician may need to  examine the area if irritation
         or pain persists.
    o   PESTICIDES -
     1.  DECONTAMINATION:  Remove contaminated clothing and
         jewelry.  Wash  the skin, including hair and nails,
         vigorously; do repeated soap washings.  Discard
         contaminated clothing.
    o   IRRITATION -
     1.  Treat dermal irritation or burns with standard topical
         therapy.  Patients developing dermal hypersensitivity
         reactions may require treatment with systemic or
         topical corticosteroids or antihistamines.
    o   DERMAL ABSORPTION -
     1.  Some chemicals can produce systemic poisoning by
         absorption through intact skin.  Carefully observe
         patients with dermal exposure for the development of
         any systemic signs or symptoms and administer
         symptomatic treatment as necessary.  
Range of Toxicity:
  o   No specific range of toxicity can be established for the
      broad field of chemicals in general.          


[Rumack BH: POISINDEX(R) Information System. Micromedex, Inc., Englewood, CO, 2001; CCIS Volume 110, edition exp November, 2001. Hall AH & Rumack BH (Eds):TOMES(R) Information System. Micromedex, Inc., Englewood, CO, 2001; CCIS Volume 110, edition exp November, 2001.] **PEER REVIEWED**

 

Animal Toxicity Studies

Non-Human Toxicity Excerpts:

Moderate toxic by animal-experiment; effective to central nervous system.
[ITII. Toxic and Hazardous Industrial Chemicals Safety Manual. Tokyo, Japan: The International Technical Information Institute, 1988. 68]**PEER REVIEWED**

 

Metabolism/Pharmacokinetics:

Pharmacology:

Drug Warnings:

Food and Environmental Agents: Effect on Breast-Feeding: Reported Sign or Symptom in Infant or Effect on Lactation: Fluorides: None. /from Table 7/
[Report of the American Academy of Pediatrics Committee on Drugs in Pediatrics 93 (1): 142 (1994)]**PEER REVIEWED**

 

Environmental Fate & Exposure

 

Environmental Fate/Exposure Summary:

Benzotrifluoride's production and use in dye chemistry, high polymer chemistry, as a solvent, dielectric fluid, vulcanizing agent, insecticide, and as an intermediate for pharmaceuticals, may result in its release to the environment through various waste streams. It has been detected in river water, sediments, and in industrial effluent discharge. If released to soil, benzotrifluoride will have low mobility. Volatilization of benzotrifluoride may be important from moist and dry soil surfaces. Benzotrifluoride will not be susceptible to direct photolysis on soil or water surfaces based upon its lack of absorption of light at wavelengths >290 nm. Biodegradation of benzotriflouride will not be an important fate process in soil or water according to a biodegradation study. If released to water, benzotrifluoride may adsorb to suspended solids and sediment. Benzotrifluoride may volatilize from water surfaces with estimated half-lives for a model river and model lake of about 3.6 hours and 4.8 days, respectively. Experimental BCF values of 26-54 and 31-58 suggest that benzotrifluoride will bioconcentrate in aquatic organisms. If released to the atmosphere, benzotrifluoride will exist in the vapor phase. Vapor-phase benzotrifluoride is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals with an estimated half-life of about 35 days. Vapor-phase benzotrifluoride is also degraded in the atmosphere by reaction with ozone with an estimated half-life of about 6.3 years. Particulate-phase benzotrifluoride may be physically removed from the air by wet and dry deposition. (SRC)
**PEER REVIEWED**

 

Artificial Pollution Sources:

Benzotrifluoride's production and use in dye chemistry(1), high polymer chemistry(1), as a solvent(2), dielectric fluid(2), vulcanizing agent(2), insecticide(2), and as an intermediate for pharmaceuticals(2), may result in its release to the environment through various waste streams(SRC).
[(1) Budavari S; The Merck Index - Encyclopedia of Chemicals, Drugs, and Biologicals Rahway, NJ: Merck and Co Inc pg 173 (1989) (2) Lewis RJSr; Hawley's Condensed Chemical Dictionary 12th ed. NY,NY: Van Nostrand Rheinhold Co pg 133 (1993)]**PEER REVIEWED**

 

Environmental Fate:

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 1030(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that benzotrifluoride will have low mobility in soil(SRC). Volatilization of benzotrifluoride may be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 0.017 atm-cu m/mole(SRC), calculated from experimental values of vapor pressure(4) and water solubility(5), and from dry soil surfaces(SRC) based on an experimental vapor pressure of 38.83 mm Hg(4). Benzotrifluoride will not be susceptible to direct photolysis on soil surfaces based upon its lack of absorption of light at wavelengths >290 nm(6). Biodegradation of benzotriflouride will not be an important fate process in soil according to two aqueous biodegradation tests(7).
[(1) Swann RL et al; Res Rev 85: 23 (1983) (2) Hansch C, Leo A; The Log P Database. Claremont, CA: Pomona College (1987) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (5) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (6) Sadtler; UV No 88 (NA) (7) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992)]**PEER REVIEWED**

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 1030(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that benzotrifluoride may adsorb to suspended solids and sediment(SRC) in water. Benzotrifluoride may volatilize from water surfaces based on an estimated Henry's Law constant of 0.017 atm-cu m/mole(SRC), calculated from experimental values of vapor pressure(4) and water solubility(5). Estimated half-lives for a model river and model lake are 3.6 hours and 4.8 days, respectively(3,SRC). Experimental BCF values of 26-54 and 31-58(7) suggest that benzotrifluoride will bioconcentrate in aquatic organisms(SRC) according to a classification scheme(6). Benzotrifluoride will not be susceptible to direct photolysis on water surfaces based upon its lack of absorption of light at wavelengths >290 nm(8). Biodegradation will not be an important fate process in water based on two biodegradation tests(9).
[(1) Swann RL et al; Res Rev 85: 23 (1983) (2) Hansch C, Leo A; The Log P Database. Claremont, CA: Pomona College (1987) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 and 15-1 to 15-29 (1990) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (5) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (6) Franke C et al; Chemosphere 29: 1501-14 (1994) (7) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (8) Sadtler; UV No 88 (NA) (9) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992)]**PEER REVIEWED**

ATMOSPHERIC FATE: According to a suggested classification scheme(1), an experimental vapor pressure of 38.83 mm Hg at 25 deg C(2,SRC) indicates that benzotrifluoride will exist in the vapor phase in the ambient atmosphere. Vapor-phase benzotrifluoride is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(3); the half-life for this reaction in air is estimated to be about 35 days(3,SRC). Vapor-phase benzotrifluoride is also degraded in the atmosphere by reaction with ozone(4); the half-life for this reaction in air is estimated to be about 6.3 years(4,SRC). Particulate-phase benzotrifluoride may be physically removed from the air by wet and dry deposition(SRC). Benzotrifluoride will not be susceptible to direct photolysis based upon its lack of absorption of light at wavelengths >290 nm(5).
[(1) Bidleman TF; Environ Sci Technol 22: 361-367 (1988) (2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (3) Atkinson R; Kinetics and Mechanisms of the Gas-Phase Reactions of the Hydroxyl Radicals with Organic Compounds; Journal of Physical and Chemical Reference Data Monograph 1 (1989) (4) Atkinson R et al; Arch Environ Contam Toxicol 14: 417-25 (1985B) (5) Sadtler; UV No 88 (NA)]**PEER REVIEWED**


 

Environmental Biodegradation:

Two four-week biodegradation studies using 2 mg/L sludge and benzotrifluoride concentrations of 2.4 and 11.9 mg/L gave theoretical BODs of 0%(1).
[(1) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992)]**PEER REVIEWED**


 

Environmental Abiotic Degradation:

The rate constant for the vapor-phase reaction of benzotrifluoride with photochemically produced hydroxyl radicals has been experimentally determined to be 4.6X10-13 cu cm/molecule-sec at 25 deg C(1). This corresponds to an atmospheric half-life of about 35 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). The rate constant for the vapor-phase reaction of benzotrifluoride with ozone has been experimentally determined to be less than 5X10-21 cu cm/molecule-sec at 25 deg C(2). This corresponds to an atmospheric half-life of about 6.3 years at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(2,SRC). Benzotrifluoride will not be susceptible to direct photolysis based upon its lack of absorption of light at wavelengths >290 nm(3).
[(1) Atkinson R; Kinetics and Mechanisms of the Gas-Phase Reactions of the Hydroxyl Radicals with Organic Compounds; Journal of Physical and Chemical Reference Data Monograph 1 (1989) (2) Atkinson R et al; Arch Environ Contam Toxicol 14: 417-25 (1985B) (3) Sadtler; UV No 88 (NA)]**PEER REVIEWED**

 

Environmental Bioconcentration:

An estimated BCF value of 110 was calculated for benzotrifluoride(SRC), using an experimental log Kow of 3.01(1) and a recommended regression-derived equation(2). Bioconcentration factors determined from a six week study in carp using 100 and 10 ug/L benzotrifluoride were 26-54 and 31-58, respectively(3). According to a classification scheme(4), these BCF values suggest that bioconcentration in aquatic organisms will be an important fate process(SRC).
[(1) Hansch C, Leo A; The Log P Database. Claremont, CA: Pomona College (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 5-4, 5-10 (1990) (3) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (4) Franke C et al; Chemosphere 29: 1501-14 (1994)]**PEER REVIEWED**

 

Soil Adsorption/Mobility:

The Koc of benzotrifluoride is estimated as approximately 1030(SRC), using an experimental log Kow of 3.01(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that benzotrifluoride has low mobility in soil(SRC).
[(1) Hansch C, Leo A; The Log P Database. Claremont, CA: Pomona College (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)]**PEER REVIEWED**

Volatilization from Water/Soil:

The Henry's Law constant for benzotrifluoride is estimated as 0.017 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 38.83 mm Hg(1), and water solubility, 451 mg/l(2). This value indicates that benzotrifluoride will volatilize rapidly from water surfaces(3,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 3.6 hours(3,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 4.8 days(3,SRC). Benzotrifluoride's high vapor pressure(1) and high Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil may occur(SRC).
[(1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)]**PEER REVIEWED**

 

Environmental Water Concentrations:

SURFACE WATER: Benzotrifluoride has been qualitatively identified in the Niagara River(1).
[(1) Great Lakes Water Quality Board; An Inventory of Chemical Substances Identified in the Great Lakes Ecosystem. Vol 1 - Summary. A Report to the Great Lakes Water Quality Board. Windsor Ontario, Canada. 195 pp (1983)]**PEER REVIEWED**

 

Effluent Concentrations:

Benzotrifluoride was detected in Bloody Run Creek water (downstream from the Hyde Park landfill) in Niagara Falls, NY at a level of 0.1-1 ppb or in sediment at a level of 0.5-2 ppm(1). Benzotrifluoride has been detected in one out of 63 industrial effluent samples taken from Ohio, West Virginia, Pennsylvania, New Jersey, New York, Louisiana, Kentucky, Delaware, and Texas at a concentration less than 10 ug/L(2).
[(1) Elder VA et al; Env Sci Technol 15: 1237-43 (1981) (2) Perry DL et al; Identification of Organic Compounds in Industrial Effluent Discharge. USEPA-600/4-79-016 (NTIS PB294794) Athens, GA: USEPA Off Res Devel pg 230 (1979)]**PEER REVIEWED**

 

Environmental Standards & Regulations:

Chemical/Physical Properties:

Molecular Formula:

C7-H5-F3
**PEER REVIEWED**

Molecular Weight:

146.11
[Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989. 173]**PEER REVIEWED**

Color/Form:

WATER WHITE LIQUID
[Sax, N.I. Dangerous Properties of Industrial Materials. 5th ed. New York: Van Nostrand Rheinhold, 1979. 408]**PEER REVIEWED**

Odor:

AROMATIC ODOR
[Sax, N.I. Dangerous Properties of Industrial Materials. 5th ed. New York: Van Nostrand Rheinhold, 1979. 408]**PEER REVIEWED**

Boiling Point:

103.46 DEG C
[Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989. 173]**PEER REVIEWED**

Melting Point:

-29.05 DEG C
[Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989. 173]**PEER REVIEWED**

Density/Specific Gravity:

1.1886 @ 20 DEG C
[Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989. 173]**PEER REVIEWED**

Solubilities:

SOL IN ALL PROPORTIONS IN ETHANOL, BENZENE, ETHER, ACETONE
[Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 75th ed. Boca Raton, Fl: CRC Press Inc., 1994-1995.,p. 3-65]**PEER REVIEWED**

Miscible in n-heptane, carbon tetrachloride.
[Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993 133]**PEER REVIEWED**

Water solubility = 451.5 mg/L at 25 deg C
[Valvani SC et al; J Pharm Sci 70: 502-7 (1981)]**PEER REVIEWED**

Spectral Properties:

INDEX OF REFRACTION: 1.41486 @ 13.3 DEG C/D
[Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989. 173]**PEER REVIEWED**

MAX ABSORPTION (ISOOCTANE): 250 NM (LOG E= 2.34); 260 NM (LOG E= 2.70); 266.5 NM (LOG E= 2.58); SADTLER REFERENCE NUMBER: 232 (IR, PRISM)
[Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979.,p. C-528]**PEER REVIEWED**

IR: 5632 (Coblentz Society Spectral Collection)
[Weast, R.C. and M.J. Astle. CRC Handbook of Data on Organic Compounds. Volumes I and II. Boca Raton, FL: CRC Press Inc. 1985.,p. V1 262]**PEER REVIEWED**

UV: 88 (Sadtler Research Laboratories Spectral Collection)
[Weast, R.C. and M.J. Astle. CRC Handbook of Data on Organic Compounds. Volumes I and II. Boca Raton, FL: CRC Press Inc. 1985.,p. V1 262]**PEER REVIEWED**

NMR: 6569 (Sadtler Research Laboratories Spectral Collection)
[Weast, R.C. and M.J. Astle. CRC Handbook of Data on Organic Compounds. Volumes I and II. Boca Raton, FL: CRC Press Inc. 1985.,p. V1 262]**PEER REVIEWED**

MASS: 818 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
[Weast, R.C. and M.J. Astle. CRC Handbook of Data on Organic Compounds. Volumes I and II. Boca Raton, FL: CRC Press Inc. 1985.,p. V1 262]**PEER REVIEWED**

Vapor Density:

5.04 (AIR=1)
[Sax, N.I. Dangerous Properties of Industrial Materials. 4th ed. New York: Van Nostrand Reinhold, 1975. 444]**PEER REVIEWED**

Vapor Pressure:

38.83 mm Hg at 25 deg C
[Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.]**PEER REVIEWED**

Other Chemical/Physical Properties:

Vapor pressure = 11 MM HG @ 0 DEG C
[Sax, N.I. Dangerous Properties of Industrial Materials. 5th ed. New York: Van Nostrand Rheinhold, 1979. 408]**PEER REVIEWED**

Liquid molar volume = 0.124041 cu m/kmol
[Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.]**PEER REVIEWED**

IG Heat of Formation = -5.8103X10+8 J/kmol
[Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.]**PEER REVIEWED**

Heat of fusion at melting point = 1.3782X10+7 J/kmol
[Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.]**PEER REVIEWED**

 

Chemical Safety & Handling:

DOT Emergency Guidelines:

Health: Toxic; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
[U.S. Department of Transportation. 1996 North American Emergency Response Guidebook. A Guidebook for First Responders During the Initial Phase of aHazardous Materials/Dangerous Goods Incident. U.S. Department of Transportation (U.S. DOT) Research and Special Programs Administration, Office of HazardousMaterials Initiatives and Training (DHM-50), Washington, D.C. (1996).,p. G-131]**QC REVIEWED**

Fire or explosion: Highly flammable: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. Some may polymerize (P) explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
[U.S. Department of Transportation. 1996 North American Emergency Response Guidebook. A Guidebook for First Responders During the Initial Phase of aHazardous Materials/Dangerous Goods Incident. U.S. Department of Transportation (U.S. DOT) Research and Special Programs Administration, Office of HazardousMaterials Initiatives and Training (DHM-50), Washington, D.C. (1996).,p. G-131]**QC REVIEWED**

Public safety: Call Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. Isolate spill or leak area immediately for at least 100 to 200 meters (330 to 660 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.
[U.S. Department of Transportation. 1996 North American Emergency Response Guidebook. A Guidebook for First Responders During the Initial Phase of aHazardous Materials/Dangerous Goods Incident. U.S. Department of Transportation (U.S. DOT) Research and Special Programs Administration, Office of HazardousMaterials Initiatives and Training (DHM-50), Washington, D.C. (1996).,p. G-131]**QC REVIEWED**

Protective clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing which is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing is recommended for fire situations only; it is not effective in spill situations.
[U.S. Department of Transportation. 1996 North American Emergency Response Guidebook. A Guidebook for First Responders During the Initial Phase of aHazardous Materials/Dangerous Goods Incident. U.S. Department of Transportation (U.S. DOT) Research and Special Programs Administration, Office of HazardousMaterials Initiatives and Training (DHM-50), Washington, D.C. (1996).,p. G-131]**QC REVIEWED**

Evacuation: Spill: See the Table of Initial Isolation and Protective Action Distances for highlighted substances. For non-highlighted substances, increase, in the downwind direction, as necessary, the isolation distance shown under "Public safety". Fire: If tank, rail car or tank truck is involved in a fire, isolate for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
[U.S. Department of Transportation. 1996 North American Emergency Response Guidebook. A Guidebook for First Responders During the Initial Phase of aHazardous Materials/Dangerous Goods Incident. U.S. Department of Transportation (U.S. DOT) Research and Special Programs Administration, Office of HazardousMaterials Initiatives and Training (DHM-50), Washington, D.C. (1996).,p. G-131]**QC REVIEWED**

Fire: CAUTION: All these products have a very low flash point. Use of water spray when fighting fire may be inefficient. Small fires: Dry chemical, CO2, water spray or alcohol-resistant foam. Large fires: Water spray, fog or alcohol-resistant foam. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Do not use straight streams. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from the ends of tanks. For massive fire use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
[U.S. Department of Transportation. 1996 North American Emergency Response Guidebook. A Guidebook for First Responders During the Initial Phase of aHazardous Materials/Dangerous Goods Incident. U.S. Department of Transportation (U.S. DOT) Research and Special Programs Administration, Office of HazardousMaterials Initiatives and Training (DHM-50), Washington, D.C. (1996).,p. G-131]**QC REVIEWED**

Spill or leak: Fully encapsulating, vapor protective clothing should be worn for spills and leaks with no fire. ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Small spills: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces.
[U.S. Department of Transportation. 1996 North American Emergency Response Guidebook. A Guidebook for First Responders During the Initial Phase of aHazardous Materials/Dangerous Goods Incident. U.S. Department of Transportation (U.S. DOT) Research and Special Programs Administration, Office of HazardousMaterials Initiatives and Training (DHM-50), Washington, D.C. (1996).,p. G-131]**QC REVIEWED**

First aid: Move victim to fresh air. Call emergency medical care. Apply artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved, and take precautions to protect themselves.
[U.S. Department of Transportation. 1996 North American Emergency Response Guidebook. A Guidebook for First Responders During the Initial Phase of aHazardous Materials/Dangerous Goods Incident. U.S. Department of Transportation (U.S. DOT) Research and Special Programs Administration, Office of HazardousMaterials Initiatives and Training (DHM-50), Washington, D.C. (1996).,p. G-131]**QC REVIEWED**

 

NFPA Hazard Classification:

Health: 4. 4= Materials that, on very short exposure, could cause deathor major residual injury, including those that are too dangerous to be approached without specialized equipment. A few whiffs of the vapor or gas could cause death, or the vapor or liquid may be fatal, if it penetrates the fire fighters' normal protective gear. The normal full protective clothing available to the typical fire fighter will not provide adequate protection against inhalation or skin contact with these materials.
[National Fire Protection Guide. Fire Protection Guide on Hazardous Materials. 10 th ed. Quincy, MA: National Fire Protection Association, 1991.,p. 325M-18]**PEER REVIEWED**

Flammability: 3. 3= Includes Class IB and IC flammable liquids and materials that can be easily ignited under almost all normal temp conditions. Water may be ineffective in controlling or extinguishing fires in such materials.
[National Fire Protection Guide. Fire Protection Guide on Hazardous Materials. 10 th ed. Quincy, MA: National Fire Protection Association, 1991.,p. 325M-18]**PEER REVIEWED**

Reactivity: 0. 0= Includes materials that are normally stable, even under fire exposure conditions, and that do not react with water. Normal fire fighting procedures may be used.
[National Fire Protection Guide. Fire Protection Guide on Hazardous Materials. 10 th ed. Quincy, MA: National Fire Protection Association, 1991.,p. 325M-18]**PEER REVIEWED**

 

Flash Point:

54 DEG F (12 DEG C) (CLOSED CUP)
[National Fire Protection Guide. Fire Protection Guide on Hazardous Materials. 10 th ed. Quincy, MA: National Fire Protection Association, 1991.,p. 325M-18]**PEER REVIEWED**

 

Fire Fighting Procedures:

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.
[Association of American Railroads. Emergency Handling of Hazardous Materials in Surface Transportation. Washington, DC: Association of American Railroads, Bureau of Explosives, 1994. 136]**PEER REVIEWED**

Use water spray, dry chemical, foam, or carbon dioxide. Water may be ineffective. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products. Use water spray to keep fire-exposed containers cool.
[National Fire Protection Guide. Fire Protection Guide on Hazardous Materials. 10 th ed. Quincy, MA: National Fire Protection Association, 1991.,p. 49-36]**PEER REVIEWED**

 

Toxic Combustion Products:

Combustion may product irritants and toxic gases including hydrogen fluoride.
[National Fire Protection Guide. Fire Protection Guide on Hazardous Materials. 10 th ed. Quincy, MA: National Fire Protection Association, 1991.,p. 49-36]**PEER REVIEWED**

 

Firefighting Hazards:

Vapors are heavier than air and may travel to a source of ignition and flash back.
[National Fire Protection Guide. Fire Protection Guide on Hazardous Materials. 10 th ed. Quincy, MA: National Fire Protection Association, 1991.,p. 49-36]**PEER REVIEWED**

Protective Equipment & Clothing:

Personnel protection: ... Wear positive pressure self-contained breathing apparatus. Wear appropriate chemical protective gloves, boots and goggles.
[Association of American Railroads. Emergency Handling of Hazardous Materials in Surface Transportation. Washington, DC: Association of American Railroads, Bureau of Explosives, 1994. 136]**PEER REVIEWED**

Preventive Measures:

ELECTRICAL EQUIPMENT SHOULD BE SUITABLE FOR USE IN ATMOSPHERES CONTAINING BENZOTRIFLUORIDE VAPORS.
[National Fire Protection Association. Fire Protection Guide on Hazardous Materials. 7th ed. Boston, Mass.: National Fire Protection Association, 1978.,p. 49-62]**PEER REVIEWED**

If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.
[Association of American Railroads. Emergency Handling of Hazardous Materials in Surface Transportation. Washington, DC: Association of American Railroads, Bureau of Explosives, 1994. 136]**PEER REVIEWED**

Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. If contact with the material anticipated, wear appropriate chemical protective clothing.
[Association of American Railroads. Emergency Handling of Hazardous Materials in Surface Transportation. Washington, DC: Association of American Railroads, Bureau of Explosives, 1994. 136]**PEER REVIEWED**

Evacuation: If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.
[Association of American Railroads. Emergency Handling of Hazardous Materials in Surface Transportation. Washington, DC: Association of American Railroads, Bureau of Explosives, 1994. 136]**PEER REVIEWED**

 

Shipment Methods and Regulations:

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./
[49 CFR 171.2 (7/1/96)]**QC REVIEWED**

The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.
[IATA. Dangerous Goods Regulations. 38th ed. Montreal, Canada and Geneva, Switzerland: International Air Transport Association, Dangerous Goods Board, January, 1997. 107]**QC REVIEWED**

The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.
[IMDG; International Maritime Dangerous Goods Code; International Maritime Organization p.3058-1 (1988)]**QC REVIEWED**

 

Storage Conditions:

Store in a cool, dry, well-ventilated location. Inside storage should be in a standard flammable liquids storage warehouse, room, or cabinet. Separate from oxidizing materials.
[National Fire Protection Guide. Fire Protection Guide on Hazardous Materials. 10 th ed. Quincy, MA: National Fire Protection Association, 1991.,p. 49-36]**PEER REVIEWED**

...ACID & ACID FUME SENSITIVE MATERIALS...ARE MATERIALS WHICH REACT WITH ACID & ACID FUMES TO EVOLVE HEAT, HYDROGEN, & FLAMMABLE &/OR EXPLOSIVE GASES...THEREFORE...ACIDS SHOULD NOT BE STORED...CLOSE...TO /BENZOTRIFLUORIDE/.
[Sax, N.I. Dangerous Properties of Industrial Materials. 4th ed. New York: Van Nostrand Reinhold, 1975. 261]**PEER REVIEWED**

Disposal Methods:

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
**PEER REVIEWED**

Occupational Exposure Standards:

Manufacturing/Use Information

Major Uses:

IN MANUFACTURE OF SUBSTITUTED BENZOTRIFLUORIDES
[Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989. 173]**PEER REVIEWED**

CHEM INT FOR LAMPREYCIDE, 3-HYDROXY-6-NITROBENZOFLUORIDE; AGENT IN DIELECTRIC FLUIDS; CHEM INT FOR DYES, PHARMACEUTICALS, COMPD USED IN HIGH POLYMER CHEMISTRY & INT IN OTHER MISC APPLICATIONS
[SRI]**PEER REVIEWED**

SOLVENT; VULCANIZING AGENT; INSECTICIDES
[Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993 133]**PEER REVIEWED**

Manufacturers:

OCCIDENTAL PETROLEUM CORP, HOOKER CHEM CORP, SUBSID, HOOKER CHEMS AND PLASTICS CORP, SUBSID, ELECTROCHEMICAL AND SPECIALTY CHEMS DIV, NIAGARA FALLS, NY 14303
[SRI]**PEER REVIEWED**

 

Methods of Manufacturing:

PREPARED BY ACTION OF HYDROGEN FLUORIDE ON BENZOTRICHLORIDE
[Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989. 173]**PEER REVIEWED**

...BY ACTION OF ANTIMONY TRIFLUORIDE ON BENZOTRICHLORIDE
[Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989. 173]**PEER REVIEWED**

 

U. S. Production:

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
[SRI]**PEER REVIEWED**

(1974) PROBABLY GREATER THAN 4.54X10+5 GRAMS
[SRI]**PEER REVIEWED**

 

U. S. Imports:

(1972) 5.36X10+7 GRAMS (PRINCPL CUSTMS DISTS)
[SRI]**PEER REVIEWED**

(1975) 2.8X10+8 GRAMS (PRINCPL CUSTMS DISTS)
[SRI]**PEER REVIEWED**

Laboratory Methods:

Special References:

Synonyms and Identifiers:

Synonyms:

BENZENE, (TRIFLUOROMETHYL)-
**PEER REVIEWED**

BENZENYL FLUORIDE
**PEER REVIEWED**

BENZYLIDYNE FLUORIDE
**PEER REVIEWED**

PHENYLFLUOROFORM
**PEER REVIEWED**

TOLUENE TRIFLUORIDE
**PEER REVIEWED**

TOLUENE, ALPHA,ALPHA,ALPHA-TRIFLUORO-
**PEER REVIEWED**

TRIFLUOROMETHYLBENZENE
**PEER REVIEWED**

ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
**PEER REVIEWED**

OMEGA-TRIFLUOROTOLUENE
**PEER REVIEWED**

USAF MA-16
**PEER REVIEWED*

 

Shipping Name/ Number DOT/UN/NA/IMO:

UN 2338; Benzotrifluoride

IMO 3.2; Benzotrifluoride

 

RTECS Number:

NIOSH/XT9450000

Administrative Information:

Hazardous Substances Databank Number: 2077

Last Revision Date: 20010809

Last Review Date: Reviewed by SRP on 5/16/1996

Update History:

Complete Update on 08/09/2001, 1 field added/edited/deleted.
Complete Update on 05/15/2001, 1 field added/edited/deleted.
Complete Update on 06/12/2000, 1 field added/edited/deleted.
Complete Update on 02/08/2000, 1 field added/edited/deleted.
Complete Update on 02/02/2000, 1 field added/edited/deleted.
Complete Update on 09/21/1999, 1 field added/edited/deleted.
Complete Update on 08/26/1999, 1 field added/edited/deleted.
Complete Update on 06/02/1998, 1 field added/edited/deleted.
Complete Update on 02/27/1998, 1 field added/edited/deleted.
Complete Update on 10/26/1997, 1 field added/edited/deleted.
Complete Update on 04/23/1997, 2 fields added/edited/deleted.
Complete Update on 01/27/1997, 1 field added/edited/deleted.
Complete Update on 10/09/1996, 44 fields added/edited/deleted.
Field Update on 05/10/1996, 1 field added/edited/deleted.
Field Update on 01/23/1996, 1 field added/edited/deleted.
Field Update on 10/03/1995, 1 field added/edited/deleted.
Field Update on 12/28/1994, 1 field added/edited/deleted.
Complete Update on 09/16/1994, 1 field added/edited/deleted.
Complete Update on 03/25/1994, 1 field added/edited/deleted.
Field update on 12/24/1992, 1 field added/edited/deleted.
Complete Update on 01/28/1992, 1 field added/edited/deleted.
Complete Update on 10/05/1990, 4 fields added/edited/deleted.
Field Update on 05/05/1989, 1 field added/edited/deleted.
Complete Update on 10/03/1986