ベンゾトリフルオリド

1.1812 at 77 °F (NTP, 1992) - Denser than water; will sink

1.1886 @ 20 °C

1.189 @ 20°C

less than 1 mg/mL at 70 °F (NTP, 1992)

SOL IN ALL PROPORTIONS IN ETHANOL, BENZENE, ETHER, ACETONE

Miscible in n-heptane, carbon tetrachloride.

Water solubility = 451.5 mg/L at 25 °C

54 °F (NTP, 1992)

54 °F (12 °C) (CLOSED CUP)

208 to 210 °F at 760 mmHg (NTP, 1992)

103.46 °C

102.1 °C @760 [mm Hg]

-20.4 °F (NTP, 1992)

-29.05 °C

Heat of fusion at melting point = 1.3782X10+7 J/kmol

-28.95 °C

5.04 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

5.04 (AIR=1)

11 mmHg at 32 °F (NTP, 1992)

38.8 [mmHg]

Vapor pressure = 11 MM HG @ 0 °C

38.83 mm Hg at 25 °C

38.83 [mm Hg] @25 °C

Benzotrifluoride appears as a clear colorless liquid with an aromatic odor. Flash point of 54 °F. Vapors are heavier than air. Insoluble in water and slightly denser than water. May be toxic by inhalation.

Liquid; [Hawley]

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Danger

Status: Active Update: 05-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/29639；Status: Active Update: 16-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29713

Benzene, (trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:；HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. CAUTION: Ethanol (UN1170) can burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) 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 the ground and collect in low or confined areas (sewers, basements, tanks, etc.). 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 will float on water. (ERG, 2024)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.；CAUTION: Ethanol (UN1170) can burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.)；· 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 the ground and collect in low or confined areas (sewers, basements, tanks, etc.).；· 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 will float on water.

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:；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 asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)

· 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 asphyxiation, especially when in closed or confined areas.；· Runoff from fire control or dilution water may cause environmental contamination.

/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.

Benzotrifluoride

UN2338

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium；For more information about the packing group assignment, please visit 49 eCFR § 173

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:；CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: For fire involving UN1170, UN1987 or UN3475, alcohol-resistant foam should be used. CAUTION: Ethanol (UN1170) can burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.).；SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam.；LARGE FIRE: Water spray, fog or alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.；FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices 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 tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.；· Keep unauthorized personnel away.；· Stay upwind, uphill and/or upstream.；· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from 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.

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)

General First Aid:；· Call 911 or emergency medical service.；· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.；· Move victim to fresh air if it can be done safely.；· Administer oxygen if breathing is difficult.；· If victim is not breathing:；-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.；-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).；-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.；· Remove and isolate contaminated clothing and shoes.；· For minor skin contact, avoid spreading material on unaffected skin.；· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.；· For severe burns, immediate medical attention is required.；· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.；· Keep victim calm and warm.；· Keep victim under observation.；· For further assistance, contact your local Poison Control Center.；· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.；Specific First Aid:；· Wash skin with soap and water.

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.

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.

...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/.

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:；ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from 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, 2024)

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.

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.

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:；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 tank car or highway tank 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, 2024)

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 tank car or highway tank 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.

47 [mg/m3]

520 [mg/m3]

3100 [mg/m3]

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).

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).

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).

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).

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 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).

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).

Status: Active Update: 05-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/29639；Status: Active Update: 16-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29713

Benzene, (trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Used in organic synthesis, dielectric fluids, solvents, and vulcanizing agents; [HSDB]

IN MANUFACTURE OF SUBSTITUTED BENZOTRIFLUORIDES

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

SOLVENT; VULCANIZING AGENT; INSECTICIDES

(1972) 5.36X10+7 GRAMS (PRINCPL CUSTMS DISTS)

(1975) 2.8X10+8 GRAMS (PRINCPL CUSTMS DISTS)

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1974) PROBABLY GREATER THAN 4.54X10+5 GRAMS

PREPARED BY ACTION OF HYDROGEN FLUORIDE ON BENZOTRICHLORIDE

...BY ACTION OF ANTIMONY TRIFLUORIDE ON BENZOTRICHLORIDE