Grundinformationen
- Standard-SMILES
FC=C(F)F- InChIKey
MIZLGWKEZAPEFJ-UHFFFAOYSA-N- Summenformel
- C2HF3
- Durchschnittliche Molmasse
- 82,02 g/mol
- Monoisotopische Masse
- 82,00303469
Namen und Bezeichner
- Bevorzugter Name
- Trifluoroethylene
- IUPAC
- 1,1,2-trifluoroethene
- Lokaler Name
- Trifluorethylen
- Englischer Name
- TRIFLUOROETHYLENE
- Summenformel
- C2HF3
- Molmasse
- 82.02
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
359-11-5- PubChem CID
- 9665
- DTXSID
DTXSID4059887- UNII
- Z2866M3Z1A
- EC Number
- 206-626-2
- Nikkaji
- J28.330D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 42,9
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -78 °C · -78°C
- Siedepunkt
- -51 °C · -51°C
- Dichte
- 1.265 · 1.265
- Brechungsindex
- 1.313 · 1.3130 (estimate)
- Henry's Law Constant
- 2.3 · 2.3×10-5 mol/(m3Pa) at 25℃, HSDB (2015)
- CAS Datenbank
- 359 · 359-11-5
- EPA chemische Informationen
- Ethene, trifluoro- (359-11-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H220 (100%): Extremely flammable gas [Danger Flammable gases]
P203, P210, P222, P280, P377, P381, P403, and P410+P403 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards Summary
May polymerize on exposure to heat or oxygen; In confined space spill, may displace air and act as simple asphyxiant; Evaporating liquid can cause frostbite; [MSDSonline] Inhalation causes general anesthesia in lethal-dose studies of rats; [RTECS]
TSCA Requirements
Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Trifluoroethene is included on this list. Effective date 4/29/83; Sunset date: 1/13/86.
Toxikologische Informationen
Interactions
... Exposure of rats to trifluoroethene (TFE) (0.5%, v/v) or a mixture of TFE and isoflurane (0.5% each) in oxygen for 60 min resulted in plasma fluoride increased over that in nonexposed or isoflurane (0.5%)-exposed animals. In untreated rats plasma fluoride levels following TFE and TFE-isoflurane exposures were approximately equal. In rats treated with phenobarbital, however, isoflurane increased plasma fluoride over two times that in rats exposed to TFE alone. Likewise cytochrome P450 levels declined 24% in TFE-exposed animals and 64% in rats exposed to TFE-isoflurane. The ability of microsomes from fluorocarbon-exposed animals to metabolize (R)- and (S)-warfarin indicates that TFE exposure inactivated the phenobarbital-inducible isozymes P450IIB1, P450IIC6, and P450IIIA to approximately equal degrees (21-35%). TFE-isoflurane exposure further inhibited P450IIB1 and PB450IIC6 to 50-70%, but had only a minor effect on P450IIIA activity. These data demonstrate that the defluorination of TFE in vivo by the phenobarbital-inducible cytochrome P450 isozymes is increased by isoflurane, and that isoflurane enhances the ability of TFE to inactivate cytochromes P450 in an isozyme-selective manner.
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 61(SRC), determined from a structure estimation method(2), indicates that trifluoroethene is expected to have high mobility in soil(SRC). Volatilization of trifluoroethene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.43 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Trifluoroethene is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.5X10+3 mm Hg at 25 °C(SRC), determined from a fragment constant method(4). Highly chlorinated/fluorinated compounds are not expected to biodegrade rapidly(5).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 61(SRC), determined from a structure estimation method(2), indicates that trifluoroethene is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.43 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 3 hours and 4 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 1.16(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Highly chlorinated/fluorinated compounds are not expected to biodegrade rapidly(8).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), trifluoroethene, which has an estimated vapor pressure of 7.5X10+3 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase trifluoroethene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 20(SRC), calculated from its rate constant of 8.1X10-13 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Trifluoroethene has an atmospheric lifetime of 250 years(4). Trifluoroethene does not contain chromophores that absorb at wavelengths >290 nm(5), and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
Soil Adsorption/Mobility
Using a structure estimation method based on molecular connectivity indices(1), the Koc of trifluoroethene can be estimated to be 61(SRC). According to a classification scheme(2), this estimated Koc value suggests that trifluoroethene is expected to have high mobility in soil.
Artificial Pollution Sources
Trifluoroethene's production and use as a chemical intermediate(1), may result in its release to the environment through various waste streams(SRC).
Reductive dechlorination via hydrogenolysis of 1,1,2-trichloro-1,2,2-trifluoroethane in sewage sludge and aquifer sediment microcosms following 177 days incubation led to the formation of trifluoroethene as an end product(1).
Environmental Bioconcentration
An estimated BCF of 3 was calculated in fish for trifluoroethene(SRC), using an estimated log Kow of 1.16(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/Soil
The Henry's Law constant for trifluoroethene is estimated as 0.43 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that trifluoroethene is expected to volatilize rapidly from water surfaces(2). 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)(2) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4 days(SRC). Trifluoroethene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Trifluoroethene is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.5X10+3 mm Hg(SRC), determined from a fragment constant method(3).
Non-Human Toxicity Excerpts
/ALTERNATIVE and IN VITRO TESTS/ .... Hepatic microsomes were isolated from male Sprague-Dawley-rats, some of which had been pretreated with sodium-phenobarbital (phenobarbital) or beta-naphthoflavone (BNF). These were incubated with 1,1-difluoroethene (DFE), 2-chloro-1,1-difluoroethene (CDE), trifluoroethene (TFE), or trifluorochloroethene (TFCE). The effects of structure on fluoride release and cytochrome-P450 and heme loss were investigated. Near maximal release of fluoride occurred in microsomes from phenobarbital treated rats. The greatest release occurred with CDE, followed by TFCE, TFE, and DFE in that order. The amounts of fluoride released were 2.4 to four times that released from untreated microsomes. BNF caused a slight inhibition of fluoride release from all compounds, relative to microsomes from untreated rats. TFE caused the greatest loss of cytochrome and heme from microsomes, followed by CDE, TFE, and DFE in that order. The pattern was the same for untreated and phenobarbital and BNF treated microsomes; however, the greatest losses occurred in microsomes from phenobarbital pretreated rats. ...
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of trifluoroethene with photochemically-produced hydroxyl radicals has been estimated as 8.1X10-13 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 20 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). The rate constant for the vapor-phase reaction of trifluoroethene with ozone has been estimated as 0.011X10-17 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(1). This corresponds to an atmospheric half-life of about 100 days at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(2). Trifluoroethene has an atmospheric lifetime of 250 years, with Global Warming Potentials of 8200, 9200, and 12,500 at 20, 100, and 500 years, respectively(3). Trifluoroethene is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(4). Trifluoroethene does not contain chromophores that absorb at wavelengths >290 nm(4), and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
Probable Routes of Human Exposure
Occupational exposure to trifluoroethene may occur through inhalation and dermal contact with this compound at workplaces where trifluoroethene is produced or used. Atmospheric lifetime data indicate that the general population may be exposed to trifluoroethene via inhalation of ambient air. (SRC)
Environmental Fate/Exposure Summary
Trifluoroethene's production and use as chemical intermediate may result in its release to the environment through various waste streams. If released to air, an estimated vapor pressure of 7.5X10+3 mm Hg at 25 °C indicates trifluoroethene will exist solely as a gas in the atmosphere. Gas-phase trifluoroethene will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 20 days. Trifluoroethene has an atmospheric lifetime of 250 years. Trifluoroethene does not contain chromophores that absorb at wavelengths >290 nm, and therefore is not expected to be susceptible to direct photolysis by sunlight. If released to soil, trifluoroethene is expected to have high mobility based upon an estimated Koc of 61. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 0.43 atm-cu m/mole. Trifluoroethene may volatilize from dry soil surfaces based upon its vapor pressure. Highly chlorinated/fluorinated compounds are not expected to biodegrade rapidly. If released into water, trifluoroethene is not expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 3 hours and 4 days, respectively. An estimated BCF of 3 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. Occupational exposure to trifluoroethene may occur through inhalation and dermal contact with this compound at workplaces where trifluoroethene is produced or used. Atmospheric lifetime data indicate that the general population may be exposed to trifluoroethene via inhalation of ambient air. (SRC)
Regulatorische Informationen
TSCA Requirements
Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Trifluoroethene is included on this list. Effective date 4/29/83; Sunset date: 1/13/86.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3161
- hs_code
- 2903590090
- RTECS-Nr.
- KM7420000
- risk_code
- 11-12
- Toxizität
- TCLo ihl-mus: 2,000,000 mg/m3/2H VCVGH*-,288,1990
- hazard_code
- F,F+
- hazard_note
- Flammable
- safety_code
- 16-33
- Giftige Stoffe Daten
- 359-11-5(Hazardous Substances Data)
Chemie und Industrie
Verwendung und Herstellung
Uses
Used to make fluorinated plastics and inert fluids; [HSDB]
Used in the production of fluorinated plastics and inert fluids
Anwendungen
VerwendenLow toxicity by inhalation.
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