2-Chloro-1,1,1-trifluoroethane

118.49

118.49

200-912-0

H86O899T9B

1299

1983

DTXSID5020289

2903791013

0

1.11

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.

1.389 g/cm³ @ Temp: 0 °C

-105.3 °C

6.1 °C

-30.2±10.4 °C

1.298

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

Vapour pressure, kPa at 20°C: 180

Relative vapour density (air = 1): 4.1

Inhalation-Mouse LC50: 15000 PPM/1 hour

1.62e-14 cm3/molecule*sec

Hydroxyl radical reaction rate constant= 1.62X10-14 cu cm/molecule-sec @ 25 °C

No rapid reaction with air. No rapid reaction with water.

Fluorinated Organic Compounds

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.

The gas is heavier than air and may accumulate in lowered spaces causing a deficiency of oxygen. The gas is heavier than air and may accumulate in lowered spaces causing a deficiency of oxygen.

2.2

1983

59

9-23-59

KH8008500

Xi

The warehouse is ventilated, low temperature and dry; stored separately from flammable materials

Irritant

P201, P202, P261, P271, P281, P304+P340, P308+P313, P312, P403+P233, P405, P410+P403, P501

H280

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

|Warning|H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]|P410+P40, and 410+P403|Aggregated GHS information provided by 114 companies from 2 notifications to the ECHA C&L Inventory.|Danger|H280: Contains gas under pressure; may explode if heated [Warning Gases under pressure]|P201, P202, P261, P271, P281, P304+P340, P308+P313, P312, P403+P233, 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)|In case of fire in the surroundings, use appropriate extinguishing media. In case of fire: keep cylinder cool by spraying with water.

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)

Ventilation. NEVER direct water jet on liquid. Do NOT let this chemical enter the environment. Personal protection: chemical protection suit including self-contained breathing apparatus.

Fireproof if in building. Cool.

A harmful concentration of this gas in the air will be reached very quickly on loss of containment.

Rapid evaporation of the liquid may cause frostbite. Exposure at high levels could cause unconsciousness.

Animal tests show that this substance possibly causes toxic effects upon human reproduction.

AVOID EXPOSURE OF (PREGNANT) WOMEN!

Use ventilation.

Cold-insulating gloves.

Wear safety goggles or eye protection in combination with breathing protection.

practically nontoxic

LC50 Mouse inhalation 15 pph/1 hr

1,1,1-Trifluoro-2-chloroethane's production and use as a blowing agent, refrigerant and chemical intermediate(1) may result in its release to the environment through various waste streams(SRC).

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).

The rate constant for the vapor-phase reaction of 1,1,1-trifluoro-2-chloroethane with photochemically-produced hydroxyl radicals has been measured as 1.62X10-14 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 2.7 years at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 1,1,1-Trifluoro-2-chloroethane is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2) but can become environmentally significant in the stratosphere where released chlorine radicals may participate in ozone-destroying reactions(3).

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 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.

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).

Occupational exposure to 1,1,1-trifluoro-2-chloroethane may occur through inhalation and dermal contact with this compound at workplaces where 1,1,1-trifluoro-2-chloroethane is produced or used. (SRC)

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.

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)

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.

1,1,1-trifluoro-2-chloroethane

The substance can be absorbed into the body by inhalation.

Unconsciousness. Suffocation.

ON CONTACT WITH LIQUID: FROSTBITE.

See Skin.

All other basic organic chemical manufacturing|Ethane, 2-chloro-1,1,1-trifluoro-: ACTIVE|S - indicates a substance that is identified in a final Significant New Use Rule.