1,1,1,3,3,3-Hexafluoropropane
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1,1,1,3,3,3-Hexafluoropropane
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CAS No:
690-39-1
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Formula:
C3H2F6
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Chemical Name:
1,1,1,3,3,3-Hexafluoropropane
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Synonyms:
Propane,1,1,1,3,3,3-hexafluoro-;1,1,1,3,3,3-Hexafluoropropane;Bistrifluoromethylmethane;2,2-Dihydroperfluoropropane;R 236fa;HFC 236fa;HCFC 236fa;SUVA 236fa;236fa
- Categories:
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CAS No:
1,1,1,3,3,3-Hexafluoropropane Basic Attributes
152.03800
152.04
425-320-1
7075BUD0LM
DTXSID8052435
Colorless gas
2903399090
Characteristics
0
2.50110
Liquid
1.4343 g/cu cm at 0 deg C
-93.6ºC
-0.7 °C
-30.8±10.4 °C
1.240
In water, 81.71 mg/L at 25 deg C (est)
1.85X10+3 mm Hg at 25 deg C (est)
Odorless
9.00e-16 cm3/molecule*sec
Henry's Law constant = 3.5 atm-cu m/mol at 25 °C (est)
Global Warming Potential (GWP): Chemical: HFC-236fa; GWP: 9,810 (100-Year Time Horizon)|Critical volume: 262 cu cm/mole|Hydroxyl radical reaction rate constant = 3.30X10-16 cu cm/molec-sec at 25 °C
Critical temperature: 398.07 K; critical pressure: 3.18 MPa
Safety Information
UN 3163
S23
Xi
Stable. Non-combustible. Incompatible with alkali metals, strong bases.
P261, P271, P304+P340, P312, P403+P233, P405, P410+P403, P501
H280
SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.
Danish EPA; Survey of selected fluorinated green-house gases (2015)[Available from, as of March 3, 2016: http://eng.mst.dk/]
|Warning|H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]|P261, P271, P304+P340, P312, P403+P233, P405, P410+P403, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,1,1,3,3,3-Hexafluoropropane was not detected in emissions from industries that use fluorocarbons in The Netherlands in 1990(1).
Toxicity
IDENTIFICATION AND USE: For 1,1,1,3,3,3-Hexafluoropropane (HFC-236fa) is a colorless, odorless gas. Its uses are as a fire extinguishant and explosion suppression agent. It also can be used as a pure refrigerant for low-pressure chillers. HUMAN EXPOSURE AND TOXICITY: No evidence of mutagenic/genotoxic activity was found in vitro in human lymphocyte assays. ANIMAL STUDIES: The 4-hr acute lethal concentration of HFC-236fa in rats exceeds 195,000 ppm; narcosis was the predominant clinical sign observed during exposure. Cardiac sensitization in beagle dogs was noted at greater than or equal to 150,000 ppm with a NOEL of 100,000 ppm. Rats exposed to 20,000 or 50,000 ppm had a transiently diminished acoustic startle response only during exposure; rats exposed to 5000 ppm were unaffected. Some adaptation to narcosis was noted as the study progressed. In a rat developmental toxicity study, maternal toxicity (diminished startle response and weight gain) was evident at 20,000 ppm or greater while fetal toxicity was found in any group. The overall no-observed-effect level for HFC-236fa was 5000 ppm, based on narcosis noted at concentrations of 20,000 ppm or greater. No evidence of mutagenic/genotoxic activity was found in vitro in Ames assay or in vivo in the mouse micronucleus assay.
A 9:1 mixture of 1,1,1,3,3,3-hexafluoropropane (HFC-236fa) and I-bromopropane (BP) was identified as a possible replacement candidate for ozone-depleting fire extinguishants. An acute inhalation toxicity assessment utilizing male and female Fischer 344 rats was performed on this mixture. No deaths occurred in any of the rats exposed to 5.09 mg/L of the 9:1 HFC-236fa and BP mixture. Body weights ofmale rats during the subsequent 14-day observation period appeared unaffected by treatment. Female rat mean body weights averaged <3 g from their initial body weights at the end of the postexposure period, but no signs of toxic stress were observed in any animals. The 9:1 mixture of HFC- 236fa and BP did not produce acute toxicity via the inhalation route.
LC50 Rats inhalation > 195,000 pp (4 hr)
1,1,1,3,3,3-Hexafluoropropane's production and use as a refrigerant and fire-extinguishing agent(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 340(SRC), determined from a structure estimation method(2), indicates that 1,1,1,3,3,3-hexafluoropropane is expected to have moderate mobility in soil(SRC). Volatilization of 1,1,1,3,3,3-hexafluoropropane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.5 atm-cu m/mole(SRC), using a fragment constant estimation method(2). 1,1,1,3,3,3-Hexafluoropropane is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1850 mm Hg at 25 °C(SRC), determined from a fragment constant method(2). Biodegradation data in soil were not available(SRC, 2016).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 340(SRC), determined from a structure estimation method(2), indicates that 1,1,1,3,3,3-hexafluoropropane is 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 3.5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 3.6 hours and 5 days, respectively(SRC). 1,1,1,3,3,3-Hexafluoropropane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). According to a classification scheme(4), an estimated BCF of 26(SRC), from an estimated log Kow of 2.65(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data in water were not available(SRC, 2016).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,1,1,3,3,3-hexafluoropropane, which has an estimated vapor pressure of 1850 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 1,1,1,3,3,3-hexafluoropropane 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 110-260 years(SRC), calculated from rate constants of 1.7X10-16 to 4.08X10-16 cu cm/molecule-sec(3-6). Atmospheric life-times for 1,1,1,3,3,3-hexafluoropropane have been reported as 222-226 years(7). 1,1,1,3,3,3-Hexafluoropropane has estimated 20-, 100- and 500-year Global Warming Potentials of 6125, 6300-9400 and 5930, respectively(7-8). 1,1,1,3,3,3-Hexafluoropropane does not contain chromophores that absorb at wavelengths >290 nm(9) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
The rate constant for the vapor-phase reaction of 1,1,1,3,3,3-hexafluoropropane with photochemically-produced hydroxyl radicals has been reported as 1.7X10-16 to 4.08X10-16 cu cm/molecule-sec(1-4). This corresponds to an atmospheric half-life of about 110-260 years at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(5). The atmospheric life-time for 1,1,1,3,3,3-hexafluoropropane has been reported as 222-226 years(6). 1,1,1,3,3,3-Hexafluoropropane 20-, 100- and 500-year Global Warming Potentials have been calculated and reported as 6125, 6300-9400 and 5930, respectively(6,7). 1,1,1,3,3,3-Hexafluoropropane does not contain chromophores that absorb at wavelengths >290 nm(8) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC). 1,1,1,3,3,3-Hexafluoropropane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(8).
An estimated BCF of 26 was calculated in fish for 1,1,1,3,3,3-hexafluoropropane(SRC), using an estimated log Kow of 2.65(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1,1,1,3,3,3-hexafluoropropane can be estimated to be 340(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,1,1,3,3,3-hexafluoropropane is expected to have moderate mobility in soil.
The Henry's Law constant for 1,1,1,3,3,3-hexafluoropropane is estimated as 3.5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,1,1,3,3,3-hexafluoropropane 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 3.6 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 5 days(SRC). 1,1,1,3,3,3-Hexafluoropropane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1,1,1,3,3,3-Hexafluoropropane is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1850 mm Hg(SRC), determined from a fragment constant method(1).
According to the 2012 TSCA Inventory Update Reporting data, one reporting facility uses 1,1,1,3,3,3-hexafluoropropane in the United States, the number of workers potentially exposed is unknown due to confidential business information (CBI)(1).|Occupational exposure to 1,1,1,3,3,3-hexafluoropropane may occur through inhalation and dermal contact with this compound at workplaces where 1,1,1,3,3,3-hexafluoropropane is produced or used. (SRC)
Drug Information
...newborn piglets ...were ventilated with air containing 0.8% HFP (v/v) for 30 min. This was done to assess accumulation of HFP during measurement of functional residual lung capacity by wash-in and wash-out techniques. A saturation concentration in blood between 2.0 and 2.5 mg/L was attained after 3 min ventilation and decreased with a half-life below 1 min after termination of the HFP supply.
/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Halogenated aliphatic hydrocarbons and related compounds/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . Cover skin burns with sterile dressings after decontamination ... . /Halogenated aliphatic hydrocarbons and related compounds/|/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W TKO. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasosupressors if patient is hypotensive with a normal fluid volume. Watch for signs of cardiac irritability and fluid overload ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Halogenated aliphatic hydrocarbons and related compounds/
/GENOTOXICITY/ No evidence of mutagenic/genotoxic activity was found in vitro in human lymphocyte assays...
1,1,1,3,3,3-hexafluoropropane
1,1,1,3,3,3-Hexafluoropropane Use and Manufacturing
HFC 236fa is a CFC replacement for use as a refrigerant and fire-extinguishing agent.
Total Gas Flooding type - hand held
Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Propane, 1,1,1,3,3,3-hexafluoro-. National Production Volume: Withheld.
All other chemical product and preparation manufacturing|Propane, 1,1,1,3,3,3-hexafluoro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Gas chromatographic method for determining fluorocarbons in air is described. Concn in air are determined directly. /Fluorocarbons/
In this work a sensitive method for quantitative determination of HFP in blood was developed using headspace gas chromatography-mass spectrometry with N2 as internal standard. The limits of detection and quantification were 0.005 and 0.016 mg/L, respectively.|Gas chromatography with electron capture analysis of the blood headspace can be used to determine the concentration of halogenated solvents in biological samples. /Halogenated Hydrocarbons-Halogenated Solvents/
Computed Properties
Molecular Weight:152.04
XLogP3:2.8
Hydrogen Bond Acceptor Count:6
Exact Mass:152.00606904
Monoisotopic Mass:152.00606904
Heavy Atom Count:9
Complexity:73.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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