Benzotrifluoride

146.11

146.11

1906908

202-635-0

49R6421K89

8038

2338

TSCA listed

DTXSID2024589

Clear colorless

29049090

0

2.79

Clear colorless Liquid

1.19 g/mL at 20 °C(lit.)

−29 °C(lit.)

102 °C(lit.)

54 °F

n20/D1.414(lit.)

<0.1 g/100 mL at 21 ºC

2-8°C

53 hPa (25 °C)

5.04

LD50 orally in Rabbit: 15000 mg/kg LD50 dermal Rat > 2000 mg/kg

Not classified

1.4-9.3%(V)

aromatic odor

4.60e-13 cm3/molecule*sec

6.0×10-4mol/(m3Pa) at 25℃, Duchowicz et al. (2020)

Liquid molar volume = 0.124041 cu m/kmol|IG Heat of Formation = -5.8103X10+8 J/kmol

Highly flammable. Insoluble in water.

Fluorinated Organic Compounds

Highly Flammable

Benzotrifluoride may react with oxidizing materials, strong bases and reducing agents.

650 °C

Store below +30°C.

II

3

UN 2338 3/PG 2

3

F,T,C,N,Xn

53-26-36/37-45-62-61-23-16

XT9450000

F,T,C,N,Xn

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids

Flammable/Corrosive

Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.

P201-P210-P280-P308 + P313-P370 + P378-P403 + P235

Highly toxic by inhalation. Flammable, dangerous fire risk.

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.

Reacts with water or moisture in air to form benzoic acid and hydrogen fluoride.

UN 2338

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 hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

|Danger|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501|H225 (98.48%): Highly Flammable liquid and vapor [Danger Flammable liquids]|Aggregated GHS information provided by 66 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, and P501

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). 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. (ERG, 2016)

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: 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. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)|Personnel protection: ... Wear positive pressure self-contained breathing apparatus. Wear appropriate chemical protective gloves, boots and goggles.

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.|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.

Vapors are heavier than air and may travel to a source of ignition and flash back.

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.|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.|Evacuation: If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.

/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ 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 hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize 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.|/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.|/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ 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. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.|/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.|For more DOT Emergency Guidelines (Complete) data for BENZOTRIFLUORIDE (8 total), please visit the HSDB record page.

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)./|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.|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.

| 3 - Materials that, under emergency conditions, can cause serious or permanent injury.| 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.| 1 - Materials that in themselves are normally stable but that can become unstable at elevated temperatures and pressures.

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).

moderately toxic

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).

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).|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).|ATMOSPHERIC FATE: According to a suggested classification scheme(1), an experimental vapor pressure of 38.83 mm Hg at 25 °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).

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 °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 °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).

44.67|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).

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).

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).

SURFACE WATER: Benzotrifluoride has been qualitatively identified in the Niagara River(1).

ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3

Food and Environmental Agents: Effect on Breast-Feeding: Reported Sign or Symptom in Infant or Effect on Lactation: Fluorides: None. /from Table 7/

0.33 Days

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and volatile chemicals have a high risk of being aspirated into the victim's lungs during vomiting. Thus, the risk of increasing the medical problems by inducing vomiting of a volatile corrosive chemical is very high. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

TOXIC BY INHALATION.

benzotrifluoride

Benzene, (trifluoromethyl)-: ACTIVE

Fire Hazards -> Flammable - 3rd degree, Reactive - 1st degree