펜타플루오로에테인(펜타플루오르에탄)

Pentafluoroethane

HCID 9633CAS 354-33-6

기본 정보

표준 SMILES
FC(F)C(F)(F)F
InChIKey
GTLACDSXYULKMZ-UHFFFAOYSA-N
분자식
C2HF5
평균 분자량
120.02 g/mol
단동위원소 질량
119.99984113

개요

Pentafluoroethane appears as a nonflammable gas. Heavier than air. May asphyxiate by the displacement of air in confined spaces. Exposure of the container to prolonged heat or fire can cause it to rupture violently and rocket.

이름 및 식별자

우선 이름
Pentafluoroethane
IUPAC
1,1,1,2,2-pentafluoroethane
현지명
펜타플루오로에테인(펜타플루오르에탄)
영어명
Pentafluoroethane
분자식
C2HF5
분자량
120.02

이름 및 동의어

PENTAFLUOROETHANE354-33-61,1,1,2,2-PentafluoroethaneEthane, pentafluoro-HFC-1251,1,2,2,2-PentafluoroethaneKhladon 125Fron 125Freon 125HCFC 125Ethane, 1,1,1,2,2-pentafluoro-FC 125
이름 더 보기
펜타플루오로에테인펜타플루오로에테인(펜타플루오르에탄)1,1,1,2,2-펜타플루오로에탄펜타플루오로에탄r125HCFC-125f125CFC125FC-125fron125
6TQ8593LRQR 125RefChem:859807206-557-8F 125C2F5HR-125MFCD00042101

데이터베이스 식별자

CAS
354-33-6
PubChem CID
9633
DTXSID
DTXSID1024251
UNII
6TQ8593LRQ
EC Number
206-557-8
Nikkaji
J393J

물성

구조 계산 물성

XLogP
2.2
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
0
무거운 원자 수
7

실험 및 물리화학적 성질

PFAS · 6건

PFAS -> PFAS with analytical method available

PFAS -> Intentionally added food contact chemicals

PFAS -> Other Nonpolymers

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> non-polymer

SolventsSolvents -> Chlorofluorocarbons
SpringerMaterials PropertiesSchoenflies notation
PesticidesPesticide -> EPA IRIS
DensityLiquid density = 1.23 g/cu cm at 20 °C
Flame RetardantsFlame retardants -> Flame retardants and extinguishing agents

물리화학적 성질

녹는점
-103 °C · -103°C
끓는 점
-48.5 °C · -48.5°C
밀도
1 · 1,248 g/cm3
증기압
1375.8 kPa · 1375.8kPa at 25℃
굴절률
1.5012 · 1.5012
수용성
430 mg/L · 430mg/L at 25℃
화학적 성질 · 1건

Pentafluoroethane has a light ethereal odor with poor warning properties.Pentafluoroethane is a non-flammable HFC gas (HydroFluoroCarbon substance) used for refrigeration and as a fire extinguishing agent.Pentafluoroethane is a component of blends used for refrigeration in closed systems. It can be found in commercial refrigeration, food processing & cold storage, transport refrigeration, commercial or domestic air conditioning, air cooled chillers or water cooled chillers used in building and large systems for air conditioning. It is also used as a fire extinguishing agent.

안전 및 규제

GHS 분류

GHS Classification · 6건

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 205 reports by companies from 4 notifications to the ECHA C&L Inventory.

Warning

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

유해성 정보

Regulatory Information · 5건

Chemical: Ethane, 1,1,1,2,2-pentafluoro-

Ethane, 1,1,1,2,2-pentafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1,1,2,2-pentafluoro- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 14-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15415

Pentafluoroethane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Ethane, pentafluoro-: Environment tier II assessment
DOT LabelNon-Flammable Gas
Fire Hazards · 2건

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

· Some may burn but none ignite readily.

Health Hazards · 2건

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.

Hazards SummaryEvaporating liquid can cause frostbite; A simple asphyxiant; [CAMEO] Evaporating liquid can cause frostbite; In confined space spill, may displace air and act as simple asphyxiant; [MSDSonline]

안전 및 보호

Fire FightingExcerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:
Accidental Release Measures · 2건

· 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.

First Aid · 2건

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

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:
Disposal Methods · 1건

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.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 140(SRC), determined from a structure estimation method(2), indicates that pentafluoroethane is expected to have high mobility in soil(SRC). Volatilization of pentafluoroethane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.049 atm-cu m/mole(SRC), using a fragment constant estimation method(2). Pentafluoroethane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9501 mm Hg at 25 °C(3). Pentafluoroethane may biodegrade slowly under aerobic conditions(4), but is not expected to biodegrade under anaerobic conditions(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 140(SRC), determined from a structure estimation method(2), indicates that pentafluoroethane 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 0.049 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 3.2 hours and 4.3 days, respectively(SRC). Pentafluoroethane is not expected to undergo hydrolysis in the environment based on estimated hydrolysis half-lives of 3.2 years and 120 days at pH values of 7 and 8, respectively(2). According to a classification scheme(4), an estimated BCF of 5(SRC), from an estimated log Kow of 1.55(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Pentafluoroethane may biodegrade slowly under aerobic conditions(5), but is not expected to biodegrade under anaerobic conditions(6).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), pentafluoroethane, which has a vapor pressure of 9501 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase pentafluoroethane 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 23 years(SRC), calculated from its rate constant of 1.9X10-15 cu cm/molecule-sec at 25 °C(3). Pentafluoroethane 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). Pentafluoroethane has an atmospheric life-time of 26-36.5 years(5-10). Pentafluoroethane has estimated 20, 100 and 500 year Global Warming Potentials of 4600-5738, 2800-3800 and 920-1100, respectively(6-10).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity Summary · 1건

IDENTIFICATION AND USE: Pentafluoroethane (HFC-125) is a colorless gas. More than 99% of HFC-125 produced worldwide used as a blend component for commercial refrigeration and air conditioning systems. The use as a fire-extinguishing agent in total flooding systems is another application of HFC-125. Minor applications include the use of HFC-125 in plastic foam blowing and as a solvent in special applications. HUMAN EXPOSURE AND TOXICITY: A chromosomal aberration test was carried out in human lymphocytes exposed up to 700,000 ppm (3,436,000 mg/cu m) HFC-125 for 3, 24 and 48 hours, with and without metabolic activation. This study gave clearly negative results. ANIMAL STUDIES: Rats (males and females) were exposed to 800,000 ppm (3,927,000 mg/cu m) HFC-125 in atmosphere for 4 hours. No mortality was observed within 14 days after the exposure. During the exposure, clinical signs typical of an anesthetic effect, such as abnormal respiration and ataxic gait, were observed. These effects disappeared within 1 hour after the end of the exposure period. Cardiac sensitization potential of HFC-125 following adrenaline injection was studied in beagle dogs. Two dogs exposed respectively to 200,000 and 300,000 ppm HFC-125 showed fatal ventricular fibrillation. In 13-week study, groups of male and female rats were exposed to 0, 5,000, 15,000 and 50,000 ppm (0, 24.544, 73,632 and 245,440 mg/cu m) HFC-125 (6 hrs/day, 5 days/week). Additional groups of male and female rats were designated for a 4-week recovery period. No mortality was found at any dose. Pregnant female rabbits were exposed to levels of 0, 5,000, 15,000 or 50,000 ppm (0, 24.544, 73,632 and 245,440 mg/cu m) for 6 hrs/day during the gestation days 6-18 and sacrificed on day 29 of gestation. There was no evidence of any treatment-related morphological change or of increased incidence of visceral and skeletal anomalies or variants. Pregnant female rats were exposed to levels of 0, 5,000, 15,000 or 50,000 ppm (0, 24.544, 73,632 and 245,440 mg/cu m) for 6 hrs/day during the gestation days 6-15 and sacrificed on day 20 of gestation. No statistically-significant differences in the incidence of anomalies and variants were observed during visceral and skeletal examination of fetuses among the control and the treated groups. An erythrocyte micronucleus test was performed in mice. No significant changes were observed in the ratio of polychromated to mature cells among the control group and the groups treated with HFC-125. A cytogenetic assay for the study of chromosomal aberrations was carried out in Chinese hamster ovary cells exposed to concentrations up to 700,000 ppm (3,436,000 mg/cu m) for 4 hours and up to 600,000 ppm (2,945,000 mg/cu m) for 24 and 48 hours, with and without metabolic activation. Positive results were observed only after 48 hours of exposure to 600,000 ppm HFC-125 in the absence of metabolic activation. However, the increased incidence of chromosomal aberration, observed under this experimental condition was concurrent with clear evidence of cytotoxicity. HFC-125 up to 200,000 ppm (982,000 mg/cu m) was tested in 2 strains of Salmonella typhimurium, with and without metabolic activation. Negative results were obtained with both strains.

Effluent Concentrations · 2건

Pentafluoroethane was detected in the emissions of hydrofluorocarbon packaging in The Netherlands in 1990 at a rate of 56 metric kilo tons CO2 equivalents/year(1).

Estimated release of pentafluoroethane into the atmosphere over Europe was inferred from atmospheric measurements collected April to Oct 2009 from locations in Italy, Ireland and Switzerland(1). Regions were defined as: central west (Belgium, France, Luxembourg), central north (Denmark, Germany, The Netherlands), northwest (Ireland, United Kingdom), central south (Austria, Italy, Switzerland), southeast (Albania, Bulgaria, parts of Greece, Hungary, Romania, former Yugoslavia), northeast (Czech Republic, Poland, Slovakia), east (Belarus, Latvia, Lithuania, Moldova, western part of Ukraine), and southwest (Portugal, Spain)(1).[Table#6248]

EPA IRIS InformationPentafluoroethane
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc of pentafluoroethane can be estimated to be 140(SRC). According to a classification scheme(2), this estimated Koc value suggests that pentafluoroethane is expected to have high mobility in soil.

규제 정보

TSCA Requirements · 1건

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, pentafluoro- is included on this list. Effective date: 10/15/90; Sunset date: 11/9/93.

안전 데이터

tsca
TSCA listed
rtecs
KI6365000
ridadr
UN 3220 (PENTAFLUOROETHANE (REFRIGERANT GAS R 125))
독성
LC50 inhalation in mouse: 2735gm/m3/2H
HS 번호
2903440010
hazard_code
Xi

화학 및 산업

약리 정보

Biological Half-Life... Elimination half-lives /of halogenated solvents/ can be increased because of either prolonged exposure or hepatic dysfunction. ... /Halogenated Hydrocarbons - Halogenated Solvents/
Metabolism/Metabolites · 2건

... Halogenated hydrocarbons are metabolized in the liver by cytochrome P-450 oxidation. Partial glutathione conjugation may occur. ... /Halogenated Hydrocarbons - Halogenated Solvents/

HFC-125 was assessed for the potential to be metabolized to trifluoroacetic acid in liver, in comparison with other halogenated-ethanes. Male Fisher rats were exposed to halothane, HCFC- 124, HFC-125, HCFC-123 and HFC-134a. At the end of the exposure, animals were placed in metabolism cages and urinary trifluoroacetic acid excretion was measured. The presence of trifluoroacetylated-hepatic protein was assessed by means of SDS-PAGE and immunoblotted with anti-TFA-protein serum. The potential to form trifluoroacetylated-hepatic protein has the following decreasing order: Halothane . HCFC-123 >> HCFC-124 > HFC-125. TFA-proteins were not detected in samples from rats exposed to HFC-134a. 19F-NMR analysis of urinary TFA excretion confirmed the previous order of reactivity. The increased fluorination on the dihalomethyl group (- CX2H) decreases the metabolism of these compounds in vivo. HFC-125 showed a lower potential to form TFA in liver when compared to other halogenated ethanes.

Absorption, Distribution and Excretion · 4건

... Main factor affecting fate of fluorocarbons is body fat, where they are concentrated & slowly released into blood @ concn that should not cause any risk of cardiac sensitization. /Fluorocarbons/

Oral absorption is rapid but less complete than pulmonary absorption. Skin absorption is insignificant, except in patients with skin breakdown (e.g., burns, ulcers, severe ichthyosis). Increased metabolic rate can lead to greater inhalational absorption as well. Peak blood levels occur soon after inhalation but occur in 1 to 2 hours after oral administration. The chemicals distribute to tissues with high blood flow (e.g., brain, heart, liver, kidney) and then to adipose tissue, where the highest chemical concentrations are typically found. Halogenated hydrocarbons are metabolized in the liver by cytochrome P-450 oxidation. Partial glutathione conjugation may occur. Halogenated solvents can be excreted unchanged through the lungs. Elimination half-lives can be increased because of either prolonged exposure or hepatic dysfunction. Prolonged exposure allows more chemical to be stored in the adipose tissue, which serves as a source of continued release. /Halogenated Hydrocarbons - Halogenated Solvents/

Fluorocarbon compounds are lipid-soluble and thus are generally well absorbed through lung. Absorption after ingestion is 35 to 48 times lower than after inhalation. ... Fluorocarbons are eliminated by way of lung. /Fluorocarbon compounds/

Sprague Dawley rats were exposed to 1,000, 5,000 and 50,000 ppm (4,900, 24,500 and 245,000 mg/cu m) HFC-125 for 6 hours in individual inhalation chambers. Absorption was calculated by measuring the decrease of HFC-125 concentration in atmosphere within the period of exposure. Results indicated a slight uptake at the end of the exposure period. Due to the low absorption of HFC-125, kinetic constants of uptake and metabolism were not calculated.

용도 및 제조

Uses · 5건

Used as a replacement for chlorofluorocarbons; [HSDB] Used as a refrigerant, fire extinguishing agent, plastic foam blowing agent, and solvent in special applications; [eChemPortal: SIDSUNEP]

According to the AFEAS database, more than 99% of HFC-125 produced worldwide by the reporting companies is used as a blend component for commercial refrigeration and air conditioning systems. The use as a fire-extinguishing agent in total flooding systems is another application of HFC-125. Minor applications include the use of HFC-125 in plastic foam blowing and as a solvent in special applications.

Refrigerant.

non-polymer PFAS -> Electronic Industry -> Electrical equipment, appliance, and component manufacturing

• Manufacture of food products and beverages [Ref: http://www.spin2000.net/spinmyphp/]

U.S. Production · 2건

2023: 70,000,000 - <85,000,000 lb

Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Ethane, 1,1,1,2,2-pentafluoro-. National Production Volume: 83,324,535 lb/yr.

Consumption PatternsRefrigerants, 39%; foam blowing agents, 17%; solvents, 14%; fluoropolymers, 14%; sterilant gas, 2%; aerosol propellants, 2%; food freezant, 1%; other, 8%; exports, 3% (1985) /fluorocarbons/
Consumer UsesPropellants, non-motive (blowing agents)
Industry UsesNot Known or Reasonably Ascertainable
Methods of Manufacturing · 2건

Higher temperatures and higher hydrogen fluoride-to-substrate ratios are necessary to achieve complete replacement of all chlorine atoms in the starting chloro compounds by fluorine. Both liquid-phase halogen exchange in the presence of catalysts, such as antimony(V) or tin(IV) chlorofluorides and vapor phase reactions using solid-phase catalysts based on chromium are employed. Preferred starting materials are chloroform for HFC 23, dichloromethane for HFC 32, and 1,1,1-trichloroethane for HFC 143a. The conversion of tetrachloroethylene to HFC 125 and trichloroethylene to HFC 134a involves initial HF-addition across the double bond followed by a series of chlorine-fluorine exchange reactions.

Fluorination of 2,2-dichloro-1,1,1-trifluoroethane (HCFC-123) is employed to manufacture 2-chloro-1,1,1,2-tetrafluoroethane (HCFC-124), which in turn is fluorinated to 1,1,1,2,2-pentafluoroethane (HFC-125).

응용 분야

용도HFC 125s main application is as a high-pressure refrigerant. It has also found use as a total flooding fire-extinguishing agent.

일반 설명A nonflammable gas. Heavier than air. May asphyxiate by the displacement of air in confined spaces. Exposure of the container to prolonged heat or fire can cause Pentafluoroethane to rupture violently and rocket.

관련 반응

5건

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