3,3,3-Trifluoropropene
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3,3,3-Trifluoropropene
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CAS No:
677-21-4
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Formula:
C3H3F3
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Chemical Name:
3,3,3-Trifluoropropene
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Synonyms:
1-Propene,3,3,3-trifluoro-;Propene,3,3,3-trifluoro-;3,3,3-Trifluoro-1-propene;3,3,3-Trifluoropropylene;1,1,1-Trifluoropropene;3,3,3-Trifluoropropene;(Trifluoromethyl)ethylene;1,1,1-Trifluoro-2-propene;R 1243;(Trifluoromethyl)ethene;HFC 1243zf;HFO 1243zf;R 1243zf;(Perfluoromethyl)ethylene;1243zf;HFO 1343zf
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CAS No:
Characteristics
0
1.40
GasVapor; Liquid
0.9961 g/cm3
-17 °C
-91.5±6.4 °C
1.288
Very soluble in water, ethanol, and ether; soluble in acetone
3380 mm Hg ( 20 °C)
3.3 (vs air)
Critical temperature: 105.44 °C; Critical pressure: 3.609X10+6 Pa
Safety Information
2.1
UN 1954 2.1
3
R11
S16-S38
UD2792000
F:Flammable;
P210, P260, P261, P271, P304+P340, P312, P314, P377, P381, P403, P403+P233, P405, P410+P403, P501
H220
Reaction with the lighter divalent metals may give much more reactive materials analogous to Grignard reagents. /Haloalkanes/
|Danger|H220 (13.33%): Extremely flammable gas [Danger Flammable gases]|P210, P377, P381, P403, and P410+P403|Aggregated GHS information provided by 51 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Toxicity
3,3,3-Trifluoro-1-propene's production and use in the manufacture of fluorine-containing silicones used in hydraulic fluids(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 97(SRC), determined from a structure estimation method(2), indicates that 3,3,3-trifluoro-1-propene is expected to have high mobility in soil(SRC). Rapid volatilization of 3,3,3-trifluoro-1-propene from moist soil surfaces is expected(SRC) given an estimated Henry's Law constant of 0.76 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). 3,3,3-Trifluoro-1-propene is expected to volatilize rapidly from dry soil surfaces based on a vapor pressure of 4,393 mm Hg(SRC) at 25 °C(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 97(SRC), determined from a structure estimation method(2), indicates that 3,3,3-trifluoro-1-propene is not expected to adsorb to suspended solids and sediment in water(SRC). 3,3,3-Trifluoro-1-propene is expected to rapidly volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 0.76 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated half-lives for a model river and model lake are 3 and 93 hours, respectively(3,SRC). According to a classification scheme(5), an estimated BCF value of 23(3,SRC), from an estimated log Kow of 2.09(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), 3,3,3-trifluoro-1-propene, which has an extrapolated vapor pressure of 4,393 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3,3,3-trifluoro-1-propene 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 19 and 156 hours respectively(3,SRC).
The rate constant for the vapor-phase reaction of 3,3,3-trifluoro-1-propene with photochemically-produced hydroxyl radicals has been estimated as 2.0X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 19 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). The rate constant for the vapor-phase reaction of 3,3,3-trifluoro-1-propene with ozone has been estimated as 1.8X10-18 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 156 hours at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(1,SRC). 3,3,3-Trifluoro-1-propene is not expected to undergo hydrolysis in the environment due to the lack of functional groups to hydrolyze.
An estimated BCF value of 23 was calculated for 3,3,3-trifluoro-1-propene(SRC), using an estimated log Kow of 2.09(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 3,3,3-trifluoro-1-propene can be estimated to be about 97(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that 3,3,3-trifluoro-1-propene is expected to have high mobility in soil(SRC).
The Henry's Law constant for 3,3,3-trifluoro-1-propene is estimated as 0.76 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 3,3,3-trifluoro-1-propene 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 3 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 96 hours(2,SRC). 3,3,3-Trifluoro-1-propene's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is expected(SRC). 3,3,3-Trifluoro-1-propene is expected to volatilize rapidly from dry soil surfaces based on an extrapolated vapor pressure of 4,393 mm Hg at 25 °C(3).
Occupational exposure to 3,3,3-trifluoro-1-propene may be through inhalation and dermal contact with this compound at workplaces where this compound is produced or used. (SRC)
3,3,3-Trifluoropropene Use and Manufacturing
Produced by fluorination and dehalogenation of 1,1,3,3-tetrachloropropane.
Intermediates
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, 3,3,3-trifluoro-: ACTIVE|TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
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/
Computed Properties
Molecular Weight:96.05
XLogP3:2
Hydrogen Bond Acceptor Count:3
Exact Mass:96.01868458
Monoisotopic Mass:96.01868458
Heavy Atom Count:6
Complexity:51.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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