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Methane, trifluoro-(CAS No. 75-46-7)

Methane, trifluoro- CHF3 (cas 75-46-7) Molecular Structure

75-46-7 Structure

Identification and Related Records

【Name】
Methane, trifluoro-
【CAS Registry number】
75-46-7
【Synonyms】
Arcton 1
Carbon trifluoride
Ecolo Ace 23
FC 23
FC 23 (fluorocarbon)
FE 13
Fluoroform
Fluoryl
Freon 23
Fron 23
Genetron 23
HCFC 23
HFC 23
Methyltrifluoride
R 23
R 23 (halocarbon)
Trifluoromethane (CHF3)
【EINECS(EC#)】
200-872-4
【Molecular Formula】
CHF3 (Products with the same molecular formula)
【Molecular Weight】
70.01
【Inchi】
InChI=1/CHF3/c2-1(3)4/h1H
【InChIKey】
XPDWGBQVDMORPB-UHFFFAOYSA-N
【Canonical SMILES】
C(F)(F)F
【MOL File】
75-46-7.mol

Chemical and Physical Properties

【Appearance】
colourless gas
【Density】
-84
【Melting Point】
-155℃
【Boiling Point】
-82℃
【Vapour】
635 psi ( 21 °C)
【Refractive Index】
1.00043 (25 C)
【Flash Point】
-112
【Water】
slightly
【Solubilities】
slightly
【Color/Form】
COLORLESS GAS
Liquefied gas
【Stability】
Stable. Incompatible with strong oxidizing agents.
【Storage temp】
May be stored over water.
【Spectral properties】
IR: 3722 (Sadtler Research Laboratories Prism Collection)
MASS: 57 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Index of refraction: 1.215 @ -73 deg C (liquid)
MASS: 15 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
【Computed Properties】
Molecular Weight:70.01385 [g/mol]
Molecular Formula:CHF3
XLogP3-AA:1.5
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:70.003035
MonoIsotopic Mass:70.003035
Topological Polar Surface Area:0
Heavy Atom Count:4
Formal Charge:0
Complexity:8
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
F
【Safety Statements 】
S38
【HazardClass】
2.2
【Safety】

Narcotic in high concentration. A mild respiratory irritant. Mutation data reported. See also FLUORIDES. When heated to decomposition it emits toxic fumes of F.
 

Hazard Codes: F
Safety Statements:
38:  In case of insufficient ventilation, wear suitable respiratory equipment

【PackingGroup 】
O53
【Skin, Eye, and Respiratory Irritations】
MAY BE SLIGHTLY IRRITATING TO RESP TRACT ...
【Transport】
UN 1984/2599
【Fire Fighting Procedures】
If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Do not use water on material itself. Use water spray to knock-down vapors.
Evacuation: If fire becomes uncontrollable or containers is exposed to direct flame -- consider evacuation of one-half (1/2) mile radius.
【Formulations/Preparations】
GRADE: 98% MIN PURITY
【DOT Emergency Guidelines】
/GUIDE 120: GASES - INERT (INCLUDING REFRIGERATED LIQUIDS)/ Health: Vapors may cause dizziness or asphyxiation without warning. Vapors from liquefied gas are initially heavier than air and spread along ground. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. /Trifluoromethane, refrigerated liquid/
/GUIDE 120: GASES - INERT (INCLUDING REFRIGERATED LIQUIDS)/ Fire or Explosion: Non-flammable gases. Containers may explode when heated. Ruptured cylinders may rocket. /Trifluoromethane, refrigerated liquid/
/GUIDE 120: GASES - INERT (INCLUDING REFRIGERATED LIQUIDS)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 100 meters (330 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Many gases are heavier than air and will spread along ground and collect in low or confined areas (sewers, basements, tanks). Keep out of low areas. Ventilate closed spaces before entering. /Trifluoromethane, refrigerated liquid/
/GUIDE 120: GASES - INERT (INCLUDING REFRIGERATED LIQUIDS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. Always wear thermal protective clothing when handling refrigerated/cryogenic liquids or solids. /Trifluoromethane, refrigerated liquid/
/GUIDE 120: GASES - INERT (INCLUDING REFRIGERATED LIQUIDS)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 100 meters (330 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. /Trifluoromethane, refrigerated liquid/
/GUIDE 120: GASES - INERT (INCLUDING REFRIGERATED LIQUIDS)/ Fire: Use extinguishing agent suitable for type of surrounding fire. Move containers from fire area if you can do it without risk. Damaged cylinders should be handled only by specialists. Fire involving tanks: 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. Do not direct water at source of leak or safety devices; icing may occur. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. /Trifluoromethane, refrigerated liquid/
/GUIDE 120: GASES - INERT (INCLUDING REFRIGERATED LIQUIDS)/ Spill or Leak: Do not touch or walk through spilled material. Stop leak if you can do it without risk. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. Do not direct water at spill or source of leak. If possible, turn leaking containers so that gas escapes rather than liquid. Prevent entry into waterways, sewers, basements or confined areas. Allow substance to evaporate. Ventilate the area. CAUTION: When in contact with refrigerated/cryogenic liquids, many materials become brittle and are likely to break without warning. /Trifluoromethane, refrigerated liquid/
/GUIDE 120: GASES - INERT (INCLUDING REFRIGERATED LIQUIDS)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Clothing frozen to the skin should be thawed before being removed. In case of contact with liquefied gas, thaw frosted parts with lukewarm water. Keep victim warm and quiet. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Trifluoromethane, refrigerated liquid/
/GUIDE 126: GASES - COMPRESSED OR LIQUEFIED (INCLUDING REFRIGERANT GASES)/ Fire or Explosion: Some may burn, but none ignite readily. Containers may explode when heated. Ruptured cylinders may rocket.
/GUIDE 126: GASES - COMPRESSED OR LIQUEFIED (INCLUDING REFRIGERANT GASES)/ Health: Vapors may cause dizziness or asphyxiation without warning. Vapors from liquefied gas are initially heavier than air and spread along ground. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Fire may produce irritating, corrosive and/or toxic gases.
/GUIDE 126: GASES - COMPRESSED OR LIQUEFIED (INCLUDING REFRIGERANT GASES)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 100 meters (330 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Many gases are heavier than air and will spread along ground and collect in low or confined areas (sewers, basements, tanks). Keep out of low areas. Ventilate closed spaces before entering.
/GUIDE 126: GASES - COMPRESSED OR LIQUEFIED (INCLUDING REFRIGERANT GASES)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing will only provide limited protection.
/GUIDE 126: GASES - COMPRESSED OR LIQUEFIED (INCLUDING REFRIGERANT GASES)/ Evacuation: Large spill: Consider initial downward evacuation for at least 500 meters (1/3 mile). 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.
/GUIDE 126: GASES - COMPRESSED OR LIQUEFIED (INCLUDING REFRIGERANT GASES)/ Fire: Use extinguishing agent suitable for type of surrounding fire. Small fires: Dry chemical or CO2. Large fires: Water spray, fog or regular foam. Move containers from fire area if you can do it without risk. Damaged cylinders should be handled only by specialists. Fire involving tanks: 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. Do not direct water at source of leak or safety devices; icing may occur. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. Some of these materials, if spilled, may evaporate leaving a flammable residue.
/GUIDE 126: GASES - COMPRESSED OR LIQUEFIED (INCLUDING REFRIGERANT GASES)/ Spill or Leak: Do not touch or walk through spilled material. Stop leak if you can do it without risk. Do not direct water at spill or source of leak. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. If possible, turn leaking containers so that gas escapes rather than liquid. Prevent entry into waterways, sewers, basements or confined areas. Allow substance to evaporate. Ventilate the area.
/GUIDE 126: GASES - COMPRESSED OR LIQUEFIED (INCLUDING REFRIGERANT GASES)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with liquefied gas, thaw frosted parts with lukewarm water. Keep victim warm and quiet. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.
【Exposure Standards and Regulations】
Bottled water shall, when a composite of analytical units of equal volume from a sample is examined by the methods described in paragraph (d)(1)(ii) of this section, meet the standards of chemical quality and shall not contain total trihalomethanes in excess of 0.10 mg/l. /Total trihalomethanes/
【Other Preventative Measures】
SUFFICIENT EXHAUST & GENERAL VENTILATION SHOULD BE PROVIDED TO KEEP VAPOR CONCN BELOW RECOMMENDED LEVELS. /FLUOROCARBONS/
FILLING AREAS SHOULD BE MONITORED TO ENSURE ... AMBIENT CONCN OF FLUOROCARBONS DOES NOT EXCEED 1000 PPM ... /FLUOROCARBONS/
APPEARANCE OF TOXIC DECOMP PRODUCTS SERVES AS WARNING OF OCCURRENCE OF THERMAL DECOMP & DETECTION OF SHARP ACRID ODOR WARNS OF PRESENCE ... HALIDE LAMPS OR ELECTRONIC LEAK DETECTORS MAY ALSO BE USED. ADEQUATE VENTILATION ALSO AVOIDS PROBLEM OF TOXIC DECOMPOSITION PRODUCTS. /FLUOROCARBONS/
If material not on fire and not involved in fire: Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.
Personnel protection: Keep upwind. Avoid breathing vapors. ... Avoid bodily contact with the material.
【Protective Equipment and Clothing】
... INDIVIDUAL BREATHING DEVICES WITH INDEPENDENT AIR SUPPLY WILL MINIMIZE RISK OF INHALATION. LIFELINES SHOULD BE WORN WHEN ENTERING TANKS OR OTHER CONFINED SPACES. /FLUOROCARBONS/
NEOPRENE GLOVES, PROTECTIVE CLOTHING, & EYE PROTECTION MINIMIZE RISK OF TOPICAL CONTACT. /FLUOROCARBONS/
【Specification】

 Fluoroform (75-46-7) also can be called Trifluoromethane ; Carbon trifluoride ; Freon 23 ; Halocarbon 23 ; R-23 .It is one of the " haloforms ", a class of compounds with the formula CHX3 (X = halogen).It is also generated biologically in small amounts apparently by decarboxylation of trifluoroacetic acid.

【Octanol/Water Partition Coefficient】
log Kow= 0.64
【Report】

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

In ethylene glycol solution at 180 deg C, ... /sodium trifluoroacetate/ can be made to decompose quantitatively to trifluoromethane and carbon dioxide if a boric acid buffer is present.
Prepared from chloroform and hydrogen fluoride: Meslans, Compt Rend 110, 717 (1890); Valentiner, U.S. patent 643,835 (1900); Ruff, Ber 69, 299 (1936); Whallay, J Soc Chem Ind (London) 66, 429 (1947); Kwasnik in Handbook of Preparative Inorganic Chemistry vol. 1, G. Brauer, Ed (Academic Press, New York, 2nd ed, 1963) pp 204-205.
Consumption Patterns

REFRIGERANTS, 39%; FOAM BLOWING AGENTS, 14%; SOLVENTS, 14%; FLUOROPOLYMERS, 14%; STERILANT GAS, 2%; AEROSOL PROPELLANTS, 2%; FOOD FREEZANT, 1%; OTHER, 8%; EXPORTS, 3% (1985) /FLUOROCARBONS/
【Usage】
Intermediate in organic synth, direct coolant for infrared detector cells, blowing agent for urethane foams.

Biomedical Effects and Toxicity

【Pharmacological Action】
Vapors may cause dizziness or asphyxiation without warning. Vapors from liquefied gas are initially heavier than air and spread along ground. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Fire may produce irritating, corrosive and/or toxic gases.
【Biomedical Effects and Toxicity】
... MAIN FACTOR AFFECTING FATE OF FLUOROCARBONS IS BODY FAT, WHERE THEY ARE CONCENTRATED & SLOWLY RELEASED INTO BLOOD @ CONCN THAT SHOULD NOT CAUSE ANY RISK OF CARDIAC SENSITIZATION. /FLUOROCARBONS/
THERE IS A SIGNIFICANT ACCUMULATION OF FLUOROCARBONS IN BRAIN, LIVER & LUNG COMPARED TO BLOOD LEVELS, SIGNIFYING A TISSUE DISTRIBUTION OF FLUOROCARBONS SIMILAR TO THAT OF CHLOROFORM. /FLUOROCARBONS/
Absorption of fluorocarbons is much lower after oral ingestion (35-48 times) than after inhalation. ... The lung generally have the highest fluorocarbon concn on autopsy. /Fluorocarbons/

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
The rate constant for the vapor-phase reaction of trifluoromethane with photochemically-produced hydroxyl radicals has been measured as 2.4X10-16 cu cm/molecule-sec at 25 deg C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 180 years at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). A base-catalyzed second-order hydrolysis rate constant of 4.3X10-2 L/mol-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 5.1 years and 190 days at pH values of 7 and 8, respectively(2,SRC).

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