Chlor-1,1,1-trifluorethan

1.389 g/cu cm @ 0 °C

Relative density (water = 1): 1.4

In water, 9,200 mg/l @ 25 °C

Solubility in water, g/100ml at 25 °C: 0.89

6.1 °C

6.9 °C

-105.3 °C

-105.5 °C

1-Chloro-2,2,2-trifluoroethane is a colorless, odorless gas. It is shipped as a liquid under its own vapor pressure. Contact with the liquid may cause frostbite to unprotected skin. It can asphyxiate by the displacement of air. Exposure of the container to fire or heat can cause it to rupture violently and rocket.

Gas Vapor; Liquid

A colorless gas; Shipped as a liquid under its own vapor pressure; [CAMEO]

COMPRESSED LIQUEFIED GAS.

Warning

H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]

P410+P403</a, and a href="https://pubchem.ncbi.nlm.nih.gov/ghs/#P410+P403">P410+P403 (click each P-code to see the statement)

Aggregated GHS information provided per 25 reports by companies from 2 notifications to the ECHA C&L Inventory.

Danger

H280: Contains gas under pressure; may explode if heated [Warning Gases under pressure]

Ethane, 2-chloro-1,1,1-trifluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 2-chloro-1,1,1-trifluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

S - indicates a substance that is identified in a final Significant New Use Rule.

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 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:

· Some may burn but none ignite readily.

· Some may burn but none ignite readily.

Not combustible. Heating will cause rise in pressure with risk of bursting. Gives off irritating or toxic fumes (or gases) in a fire.

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

In confined space spill, may displace air and act as simple asphyxiant; Evaporating liquid can cause frostbite; Exposure at high level may result in unconsciousness. [ICSC] Effects in high-dose animal studies include general anesthesia; [MSDSonline]

1983 126

1983 126

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. Ethane, 2-chloro-1,1,1-trifluoro- is included on this list.

1-CHLORO-2,2,2-TRIFLUOROETHANE is chemically inert in many situations, but can react violently with strong reducing agents such as the very active metals and the active metals. Undergoes oxidation with strong oxidizing agents and under extremes of temperature.

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:

In case of fire in the surroundings, use appropriate extinguishing media. In case of fire: keep cylinder cool by spraying with water.

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

ON FROSTBITE: rinse with plenty of water, do NOT remove clothes. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

· 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.

· Do not touch or walk through spilled material.

· 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.

· Do not touch or walk through spilled material.

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:

General First Aid:

General First Aid:

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear positive pressure self-contained breathing apparatus (SCBA).

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:

Immediate precautionary measure

Immediate precautionary measure

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 30(SRC), determined from a measured water solubility of 9,200 mg/l(2) and a regression-derived equation(3), indicates that 1,1,1-trifluoro-2-chloroethane is expected to have very high mobility in soil(SRC). Volatilization of 1,1,1-trifluoro-2-chloroethane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.27 atm-cu m/mole(SRC), using a fragment constant estimation method(4). The potential for volatilization of 1,1,1-trifluoro-2-chloroethane from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 950 mm Hg(SRC), determined from a fragment constant method(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 30(SRC), determined from a measured water solubility of 9,200 mg/l(2) and a regression-derived equation(3), indicates that 1,1,1-trifluoro-2-chloroethane 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 0.27 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 1 hour and 4 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 4(SRC), from its water solubility and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,1,1-trifluoro-2-chloroethane, which has an estimated vapor pressure of 950 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 1,1,1-trifluoro-2-chloroethane 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 2.7 years(SRC), calculated from its rate constant of 1.62X10-14 cu cm/molecule-sec at 25 °C(3). Stratospheric photolysis of 1,1,1-trifluoro-2-chloroethane releases chlorine radicals which can participate in ozone-destroying reactions(4).

Unconsciousness. Suffocation.

ON CONTACT WITH LIQUID: FROSTBITE.

See Skin.

The Koc of 1,1,1-trifluoro-2-chloroethane is estimated as 30(SRC), using a measured water solubility of 9,200 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,1,1-trifluoro-2-chloroethane is expected to have very high mobility in soil.

2-Chloro-1,1,1-trifluoroethane

Group 3: Not classifiable as to its carcinogenicity to humans

Volume 41: (1986) Some Halogenated Hydrocarbons and Pesticide Exposures

1999

1998

An estimated BCF of 4 was calculated for 1,1,1-trifluoro-2-chloroethane(SRC), using a water solubility of 9,200 mg/l(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).

The Henry's Law constant for 1,1,1-trifluoro-2-chloroethane is estimated as 0.27 atm-cu m/mole(SRC) calculated using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,1,1-trifluoro-2-chloroethane 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 1 hour(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). 1,1,1-Trifluoro-2-chloroethane's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,1,1-trifluoro-2-chloroethane from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 950 mm Hg(SRC), determined from a fragment constant method(3).

Groups of 36 male & 36 female SPR Alpk/Ap (Wistar-derived) rats, 6 wk old, received 300 mg/kg bw 2-chloro-1,1,1-trifluoroethane (FC 133a; purity, 99.5%) as a 3% w/v soln in corn oil by gavage on 5 day/wk for 52 wk. Two vehicle-control groups (one of which was housed separately) & one untreated control group were available. The study was terminated after 125 wk. Body-weight gain was significantly reduced in treated males; mortality rates were comparable between the groups. The incidence of uterine carcinomas was 1/104 in the combined controls & 15/35 in treated females [p<0.001]. the incidence of benign (often bilateral) interstitial-cell neoplasms of the testes was 16/104 in the combined controls & 29/36 in treated males [p<0.001].

The toxicity of 2-chloro-1,1,1-trifluoroethane was reviewed ... which concluded that, in an inhalation experiment, the compound produced nasal & lung damage & atrophy of the thymus, spleen, testes & ovaries. In addn, thyroid weight was increased in male rats. ... /It/ is embryotoxic at exposure concns that did not produce clear evidence of maternal toxicity & that there was evidence of teratogenicity.

Groups of 36 male & 36 female Alpk/Ap rats were exposed to 0 or 300 mg/kg bw 2-chloro-1,1,1-trifluoroethane by gavage on 5 days/wk for one yr. Reduced growth & increased aggressive behavior, arrest of spermatogenesis & seminiferous tubular atrophy were observed in males.

2-Chloro-1,1,1-trifluoroethane was not mutagenic to Salmonella typhimurium TA98 or TA100, in the presence & absence of a rat-liver metabolic system (S9) when incubated at concns of 0.1-50% for 48 hr, or at 0.5-10% for 8 hr. ... No mutagenic effect /was reported/ in S. typhimurium TA1535 or TA100 in the presence or absence of S9, when incubated for 72 hr at concns up to 50%.

For more Non-Human Toxicity Excerpts (Complete) data for 1,1,1-TRIFLUORO-2-CHLOROETHANE (6 total), please visit the HSDB record page.

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. Ethane, 2-chloro-1,1,1-trifluoro- is included on this list.

Male Fischer 344 rats were exposed by inhalation to 1% 2-chloro-1,1,1-trifluoroethane for 2 hr & then urine was collected for 24 hr. Urinary metabolites identified by 19F nuclear magnetic resonance & gas chromatography/mass spectrometry were 2,2,2-trifluoroethyl glucuronide (16%), trifluoroacetic acid (14%), trifuoroacetaldehyde hydrate (26%), trifluoroacetaldehyde-urea adduct (40%) & inorganic fluoride (3%). A minor, unidentified metabolite was also detected. No covalent binding of fluorine-containing metabolites was observed in the liver & kidney from the exposed rats. In-vitro incubation of 2-chloro-1,1,1-trifluoroethane with rat liver microsome & an NADPH-generating system has been shown to involve a dechlorination reaction that produced trifluoroacetaldehyde hydrate as the only metabolite.

The bioactivation and cytotoxicity of 1,1-dichloro-2,2,2-trifluoroethane (HCFC-123), a replacement for some ozone-depleting chlorofluorocarbons, were investigated using freshly isolated hepatocytes from non-induced male rats. A time- and concentration-dependent increase in the leakage of lactate dehydrogenase and a concentration-dependent loss of total cellular glutathione were observed in cells incubated with 1, 5 and 10 mM HCFC-123 under normoxic or hypoxic (about 4% O2) conditions. Lactate dehydrogenase leakage was completely prevented by pretreating the cell suspension with the free radical trapper N-t-butyl-alpha-phenylnitrone. The aspecific cytochrome P450 (P450) inhibitor, metyrapone, totally prevented the lactate dehydrogenase leakage from hepatocytes, while two isoform-specific P450 inhibitors, 4-methylpyrazole and troleandomycin (a P450 2E1 and a P450 3A inhibitor, respectively), provided a partial protection against HCFC-123 cytotoxicity. Interestingly, pretreatment of cells with glutathione depletors, such as phorone and diethylmaleate, did not enhance the HCFC-123-dependent lactate dehydrogenase leakage. Two stable metabolites of HCFC-123, 1-chloro-2,2,2-trifluoroethane and 1-chloro-2,2-difluoroethene, were detected by gas chromatography/mass spectrometry analysis of the head space of the hepatocyte incubations carried out under hypoxic and, although at a lower level, also normoxic conditions, indicating that reductive metabolism of HCFC-123 by hepatocytes had occurred. The results overall indicate that HCFC-123 is cytotoxic to rat hepatocytes under both normoxic and hypoxic conditions, due to its bioactivation to reactive metabolites, probably free radicals, and that P450 2E1 and, to a lower extent, P450 3A, are involved in the process.

... Halothane undergoes both oxidative and reductive metabolism by cytochrome P450 (CYP), respectively causing rare immune-mediated hepatic necrosis and common, mild subclinical hepatic toxicity. Halothane also causes lipid peroxidation in rodents in vitro and in vivo, but in vivo effects in humans are unknown. In vitro investigations have identified a role for human CYPs 2E1 and 2A6 in oxidation and CYPs 2A6 and 3A4 in reduction. The mechanism-based CYP2E1 inhibitor disulfiram diminished human halothane oxidation in vivo. This investigation tested the hypotheses that halothane causes lipid peroxidation in humans in vivo, and that CYP2A6 or CYP3A4 inhibition can diminish halothane metabolism. ... Patients (n = 9 each group) received single doses of the mechanism-based inhibitors troleandomycin (CYP3A4), methoxsalen (CYP2A6) or nothing (controls) before a standard halothane anaesthetic. Reductive halothane metabolites chlorotrifluoroethane and chlorodifluoroethylene in exhaled breath, fluoride in urine, and oxidative metabolites trifluoroacetic acid and bromide in urine were measured for 48 hr postoperatively. Lipid peroxidation was assessed by plasma F2-isoprostane concentrations. ... The halothane dose was similar in all groups. Methoxsalen decreased 0- to 8-hr trifluoroacetic acid (23 +/- 20 micromol vs 116 +/- 78 micromol) and bromide (17 +/- 11 micromol vs 53 +/- 49 micromol) excretion (P < 0.05), but not thereafter. Plasma F2-isoprostanes in controls were increased from 8.5 +/- 4.5 pg/ml to 12.5 +/- 5.0 pg/ml postoperatively (P < 0.05). Neither methoxsalen nor troleandomycin diminished reductive halothane metabolite or F2-isoprostane concentrations. ... These results provide the first evidence for halothane-dependent lipid peroxidation in humans. Methoxsalen effects on halothane oxidation confirm in vitro results and suggest limited CYP2A6 participation in vivo. CYP2A6-mediated, like CYP2E1-mediated human halothane oxidation, can be inhibited in vivo by mechanism-based CYP inhibitors. In contrast, clinical halothane reduction and lipid peroxidation were not amenable to suppression by CYP inhibitors.

The anesthetic halothane undergoes extensive oxidative and reductive biotransformation, resulting in metabolites that cause hepatotoxicity. Halothane is reduced anaerobically by cytochrome P450 (P450) to the volatile metabolites 2-chloro-1,1-difluoroethene (CDE) and 2-chloro-1,1,1-trifluoroethane (CTE). The purpose of this investigation was to identify the human P450 isoform(s) responsible for reductive halothane metabolism. CDE and CTE formation from halothane metabolism by human liver microsomes was determined by GC/MS analysis. Halothane metabolism to CDE and CTE under reductive conditions was completely inhibited by carbon monoxide, which implicates exclusively P450 in this reaction. Eadie-Hofstee plots of both CDE and CTE formation were nonlinear, suggesting multiple P450 isoform involvement. Microsomal CDE and CTE formation were each inhibited 40-50% by P450 2A6-selective inhibitors (coumarin and 8-methoxypsoralen) and 55-60% by P450 3A4-selective inhibitors (ketoconazole and troleandomycin). P450 1A-, 2B6-, 2C9/10-, and 2D6-selective inhibitors (7,8-benzoflavone, furafylline, orphenadrine, sulfaphenazole, and quinidine) had no significant effect on reductive halothane metabolism. Measurement of product formation catalyzed by a panel of cDNA-expressed P450 isoforms revealed that maximal rates of CDE formation occurred with P450 2A6, followed by P450 3A4. P450 3A4 was the most effective catalyst of CTE formation. Among a panel of 11 different human livers, there were significant linear correlations between the rate of CDE formation and both 2A6 activity (r = 0.64, p < 0.04) and 3A4 activity (r = 0.64, p < 0.03). Similarly, there were significant linear correlations between CTE formation and both 2A6 activity (r = 0.55, p < 0.08) and 3A4 activity (r = 0.77, p < 0.005). The P450 2E1 inhibitors 4-methylpyrazole and diethyldithiocarbamate inhibited CDE and CTE formation by 20-45% and 40-50%, respectively; however, cDNA-expressed P450 2E1 did not catalyze significant amounts of CDE or CTE production, and microsomal metabolite formation was not correlated with P450 2E1 activity. This investigation demonstrated that human liver microsomal reductive halothane metabolism is catalyzed predominantly by P450 2A6 and 3A4. This isoform selectivity for anaerobic halothane metabolism contrasts with that for oxidative human halothane metabolism, which is catalyzed predominantly by P450 2E1.

For more Metabolism/Metabolites (Complete) data for 1,1,1-TRIFLUORO-2-CHLOROETHANE (11 total), please visit the HSDB record page.

1-chloro-2,2,2-trifluoroethanide is a known human metabolite of (R)-halothane.

Used as a blowing agent, refrigerant, and chemical intermediate; [HSDB]

Blowing agent, refrigerant, and chemical intermediate

Industrial Gas Manufacturing

Ethane, 2-chloro-1,1,1-trifluoro-: ACTIVE