Hexafluoropropylene
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Hexafluoropropylene
structure -
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CAS No:
116-15-4
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Formula:
C3F6
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Chemical Name:
Hexafluoropropylene
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Synonyms:
1-Propene,1,1,2,3,3,3-hexafluoro-;Propene,hexafluoro-;1,1,2,3,3,3-Hexafluoro-1-propene;Hexafluoro-1-propene;Perfluoropropene;Perfluoropropylene;Hexafluoropropene;Perfluoro-1-propene;Hexafluoropropylene;1,1,2,3,3,3-Hexafluoropropene;R 1216;F 1216;Propylene hexafluoride;Esafluoropropene;PFC 1216;HFC 1216;HFO 1216;FO 1216;HFP
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CAS No:
Description
Hexafluoropropylene is an odorless, colorless gas. It is noncombustible. It can asphyxiate by the displacement of air. Exposure of the container to prolonged heat or fire can cause it to rupture violently and rocket.
Hexafluoropropylene is an odorless, colorless gas. It is noncombustible. It can asphyxiate by the displacement of air. Exposure of the container to prolonged heat or fire can cause it to rupture violently and rocket.|GasVapor; Liquid
Hexafluoropropylene is an odorless, colorless gas. It is noncombustible. It can asphyxiate by the displacement of air. Exposure of the container to prolonged heat or fire can cause it to rupture violently and rocket.
Hexafluoropropylene Basic Attributes
150.02300
150.02
204-127-4
TRW23XOS20
1858
DTXSID2026949
Colorless gas
2903399090
Characteristics
0
2.62630
Hexafluoropropylene is an odorless, colorless gas. It is noncombustible. It can asphyxiate by the displacement of air. Exposure of the container to prolonged heat or fire can cause it to rupture violently and rocket.
1.583 g/cm3 @ Temp: -40 °C
-156.5 °C
-29.6 °C
1.5478 (17.5ºC)
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
4.9X10+3 mm Hg at 25 deg C /from experimentally derived coefficients/
EXPLOSIVE OR SIMILARLY VIGOROUS REACTIONS BETWEEN HALOGENATED HYDROCARBONS AND OTHER CHEM ARE DESCRIBED.
Odorless gas
2.20e-12 cm3/molecule*sec
No rapid reaction with air No rapid reaction with water
Halogenated Organic Compounds
Halogenated aliphatic compounds, such as HEXAFLUOROPROPYLENE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. Above a minimum oxygen pressure, the reaction of oxygen difluoride and hexafluoropropene to yield the hexafluoropropylene oxide becomes explosive, Chem. Abs., 1987, 107, 175302. The reaction of hexafluoropropene with grignard reagent (subst. phenylmagnesium bromides) led to explosion, Fluorine Chem., 1981, 18, 25.
Critical temperature: 86/2 °C; Critical pressure: 2.75 MPa
Safety Information
2.2
UN 1858 2.2
1
R20;R37
S41
UD0350000
Xn:Harmful;
Stable. Incompatible with alkali metals, powdered metals.
P261, P271, P304+P312, P304+P340, P312, P403+P233, P405, P501
H332
Reaction of various substituted phenylmagnesium bromides with hexafluoropropene under pressure at ambient temp had been effected on the 0.2-0.6 g mol scale without incident. An attempt to scale up to 0.8 g mol with phenylmagnesium bromide led to an explosion.|Incompatible with combinations of air and tetrafluoroethylene, and oxygen and oxygen difluoride.
FLUOROALKANES; RESPONSE TO THE INTERAGENCY TESTING COMMITTEE; FED REGIST 46(210 BK 1) 53704 (1981). EVIDENCE SUPPORTING NEED FOR EVALUATING TOXICITY OF FLUOROALKANES IS DISCUSSED. THE COMPOUNDS (FLUOROALKANES) ARE USED PRIMARILY IN SYNTH OF POLYMERS & COPOLYMERS, RESISTANT TO HEAT & CORROSION. THEIR CHEM PROPERTIES, MFR WORKER EXPOSURE POTENTIAL, & ADEQUACY OF INFORMATION ON ONCOGENICITY, MUTAGENICITY, & OTHER TOXIC EFFECTS ARE COVERED.
Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: Some may burn but none ignite readily. Containers may explode when heated. Ruptured cylinders may rocket. (ERG, 2016)|Reactive - 1st degree
|Warning|H332: Harmful if inhaled [Warning Acute toxicity, inhalation]|P261, P271, P304+P312, P304+P340, P312, P403+P233, P405, and P501|H280 (73.04%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]|P201, P202, P260, P261, P264, P270, P271, P281, P304+P312, P304+P340, P308+P313, P309+P311, P312, P314, P403+P233, P405, P410+P403, and P501|Aggregated GHS information provided by 382 companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H280: Contains gas under pressure; may explode if heated [Warning Gases under pressure]|P260, P261, P264, P270, P271, P304+P312, P304+P340, P307+P311, P312, P314, P321, P405, P410+P403, and P501
Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: Use extinguishing agent suitable for type of surrounding fire. SMALL FIRE: Dry chemical or CO2. LARGE FIRE: 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. (ERG, 2016)
Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: As an immediate precautionary measure, isolate spill or leak area for at least 100 meters (330 feet) in all directions. LARGE SPILL: Consider initial downwind 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. (ERG, 2016)
Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: 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. (ERG, 2016)
Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: 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. (ERG, 2016)
EXPLOSIVE OR SIMILARLY VIGOROUS REACTIONS BETWEEN HALOGENATED HYDROCARBONS AND OTHER CHEM ARE DESCRIBED.
/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.|For more DOT Emergency Guidelines (Complete) data for 1,1,2,3,3,3-HEXAFLUORO-1-PROPENE (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 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.
Hexafluoropropene was identified, not quantified, in the stack emissions of a hazardous waste incinerator(1).
Toxicity
Hexafluoropropene's production and use in the manufacture of copolymers and hexafluoropropylene oxide(1), 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 470(SRC), determined from a structure estimation method(2), indicates that hexafluoropropene is expected to have moderate mobility in soil(SRC). Volatilization of hexafluoropropene is expected from moist soil surfaces(SRC) given an estimated Henry's Law constant of 5.34 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). Hexafluoropropene is expected to rapidly volatilize from dry soil surfaces based on a vapor pressure of 4.9X10+3 mm Hg(SRC), determined from a fragment constant method(4). Highly chlorinated/fluorinated compounds are not expected to biodegrade rapidly(5).|AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 470(SRC), determined from a structure estimation method(2), indicates that hexafluoropropene is expected to adsorb to suspended solids and sediment in water(SRC). Hexafluoropropene is expected to volatilize rapidly from water surfaces(3,SRC) based on an estimated Henry's Law constant of 5.34 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated half-lives for a model river and model lake are 4 and 116 hours, respectively(3,SRC). According to a classification scheme(5), an estimated BCF value of 24(3,SRC), from an estimated log Kow of 2.12(6,SRC), suggests that bioconcentration in aquatic organisms is low(SRC). Highly chlorinated/fluorinated compounds are not expected to biodegrade rapidly(7).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), hexafluoropropene, which has a vapor pressure of 4.9X10+3 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase hexafluoropropene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone molecules(SRC); the half-lives for these reactions in air are estimated to be about 21(3,SRC) and 95(4,SRC) days, respectively.
The rate constant for the vapor-phase reaction of hexafluoropropene with photochemically-produced hydroxyl radicals has been estimated as 7.74X10-13 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 21 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). The rate constant for the vapor-phase reaction of hexafluoropropene with ozone has been measured as 7.7X10-20 cu cm/molecule-sec at 25 °C(2). This corresponds to an atmospheric half-life of about 95 days at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(2,SRC). Hexafluoropropene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(SRC).
An estimated BCF value of 24 was calculated for hexafluoropropene(SRC), using an estimated log Kow of 2.12(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).
Using a structure estimation method based on molecular connectivity indices(1), the Koc for hexafluoropropene can be estimated to be about 470(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that hexafluoropropene is expected to have moderate mobility in soil(SRC).
The Henry's Law constant for hexafluoropropene is estimated as 5.34 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that hexafluoropropene will volatilize rapidly from water surfaces(2,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 4 hours(2,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 116 hours(2,SRC). Hexafluoropropene's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is expected(SRC). Hexafluoropropene is expected to volatilize rapidly from dry soil surfaces based on a vapor pressure of 4.9X10+3 mm Hg at 25 °C(3).
Occupational exposure may be through inhalation and dermal contact with this compound at workplaces where hexafluoropropene is produced or used. (SRC)
Drug Information
Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: 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. (ERG, 2016)
Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. 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 calm and warm. (ERG, 2016)
hexafluoropropene
Hexafluoropropylene Use and Manufacturing
BY-PRODUCT IN THE PRODUCTION OF TETRAFLUOROETHYLENE BY REACTION OF HYDROGEN FLUORIDE WITH CHLOROFORM IN THE PRESENCE OF ANTIMONY TRIFLUORIDE CATALYST, FOLLOWED BY PYROLYSIS; PYROLYSIS OF POLYTETRAFLUOROETHYLENE; FLUORINATION OF 1,2,3-TRICHLOROPROPANE, THEN DEHALOGENATION|Produced by temperature controlled pyrolysis of chlorodifluoromethane. Also obtained from tetrafluoroethylene by heating at normal or reduced pressure in the presence of an inert gas or water vapor.
Intermediates
10,000,000 - 50,000,000 lb|(1977) AT LEAST 4.54X10+8 GRAMS|(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
REFRIGERANTS, 39%; FOAM BLOWING AGENTS, 17%; SOLVENTS, 14%; FLUOROPOLYMERS, 14%; STERILANT GAS, 2%; AEROSOL PROPELLANTS, 2%; FOOD FREEZANT, 1%; OTHER, 8%; EXPORTS, 3% (1985) /FLUOROCARBONS/
All other basic organic chemical manufacturing|1-Propene, 1,1,2,3,3,3-hexafluoro-: ACTIVE|/DURING THERMAL DECOMPOSITION OF TETRAFLUOROETHYLENE/ WHEN AIR IS PRESENT & WITH TEMP OF...400 °C SMALL AMT OF PERFLUOROISOBUTYLENE...HEXAFLUOROPROPENE & OCTAFLUOROCYCLOBUTANE.../ARE PRODUCED/.
GAS CHROMATOGRAPHIC METHOD FOR DETERMINING FLUOROCARBONS IN AIR IS DESCRIBED. CONCN IN AIR ARE DETERMINED DIRECTLY. /FLUOROCARBONS/|A GAS CHROMATOGRAPHIC PROCEDURE FOR DETERMINING ATMOSPHERIC LEVELS OF FLUOROCARBONS IS DESCRIBED. COLUMN IS TEMP PROGRAMMED TO SEPARATE HALOGENATED COMPONENTS WHILE MAINTAINING SHORT RETENTION TIMES FOR EACH COMPONENT. FREON 113 INCL. /FLUOROCARBONS/|GAS CHROMATOGRAPHIC METHOD FOR MEASURING HALOCARBONS IN AMBIENT AIR SAMPLES IS PRESENTED. /HALOCARBONS/
Fire Hazards -> Reactive - 1st degree
Computed Properties
Molecular Weight:150.02
XLogP3:1.9
Hydrogen Bond Acceptor Count:6
Exact Mass:149.99041897
Monoisotopic Mass:149.99041897
Heavy Atom Count:9
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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