Chloropentafluoroethane

HCID 6430CAS 76-15-3

基本情報

標準SMILES
FC(F)(F)C(F)(F)Cl
InChIKey
RFCAUADVODFSLZ-UHFFFAOYSA-N
分子式
C2ClF5
平均分子量
154.46 g/mol
単同位体質量
153.96086878

概要

Chloropentafluoroethane is a colorless odorless gas with an ether-like odor. It is shipped as a liquefied gas under its own vapor pressure. It is noncombustible. It can asphyxiate by the displacement of air. Contact with the liquid can cause frostbite. Exposure of the container to prolonged heat or fire may cause it to rupture violently and rocket.

名称と識別子

優先名称
Chloropentafluoroethane
IUPAC
1-chloro-1,1,2,2,2-pentafluoroethane

名称と別名

CHLOROPENTAFLUOROETHANE76-15-31-Chloro-1,1,2,2,2-pentafluoroethanePentafluoroethyl chlorideEthane, chloropentafluoro-Refrigerant 115Propellant 115ChloroperfluoroethaneGenetron 115PentafluorochloroethanePerfluoroethyl chlorideFreon 115
名称をさらに表示
Halocarbon 115CFC-115MonochloropentafluoroethaneFluorocarbon-115ChloropentafluoretanoChloropentafluorethaneFluorocarbon 115FKW 115

データベース識別子

CAS
76-15-3
PubChem CID
6430
DTXSID
DTXSID3026435
ChEMBL
CHEMBL502216
ChEBI
CHEBI:184585
UNII
SJG47X19V4
EC Number
200-938-2
Nikkaji
J1.946A

物性

構造計算による物性

XLogP
2.6
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
0
重原子数
8

実験および物理化学的性質

PFAS · 4 件

PFAS -> Other Nonpolymers

PFAS -> Other/unspecified

PFAS -> non-polymer

PFAS -> Intentionally added food contact chemicals

SolventsSolvents -> Chlorofluorocarbons
SpringerMaterials PropertiesBoiling point
LogP · 2 件

2.4

2.23

Odor · 2 件

Odorless

... Slight, ethereal odor ...

Food AdditivesPROPELLANT -> FDA Substance added to food

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

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

P410+P403, and P502 (click each P-code to see the statement)

Aggregated GHS information provided per 112 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Warning

危険有害性情報

Regulatory Information · 3 件

Chemical: Ethane, chloropentafluoro-

Chloropentafluoroethane (Refrigerant gas R115): Non hazardous

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.)

DOT LabelNon-Flammable Gas
Fire Hazards · 3 件

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

· 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.

Fire PotentialNonflammable
Health Hazards · 2 件

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 SummarySee CHLOROFLUOROCARBONS; Possible frostbite from contact with liquid; [ICSC]

安全と保護具

Fire Fighting · 2 件

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.

First Aid Measures · 3 件

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.

Accidental Release Measures · 2 件

· 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 · 3 件

Excerpt from NIOSH Pocket Guide for Chloropentafluoroethane:

General First Aid:

(General first aid procedures)

Safe StorageFireproof if in building. Cool.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

毒性情報

Interactions · 2 件

... The combination of fluorocarbon with a sympathomimetic bronchodilator is potentially dangerous for the treatment of bronchial asthma. For the same reason, sympathomimetic drugs are contraindicated in cardiac resuscitation of patients suffering from fluorocarbon poisoning. /Fluorocarbon poisoning/

/In humans/ a 10 to 90% mixture of CFC-11 & CFC-12, respectively, caused more severe respiratory effects than either fluorocarbon inhaled singly.

Target OrgansSkin, central nervous system, cardiovascular system
Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a structure estimation method(2), indicates that chloropentafluoroethane is expected to have high mobility in soil(SRC). Volatilization of chloropentafluoroethane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 5.6 atm-cu m/mole(SRC), based upon its vapor pressure, 6860 mm Hg(3), and water solubility, 58 mg/L(4). Chloropentafluoroethane is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Highly chlorinated/fluorinated compounds such as chloropentafluoroethane are not expected to biodegrade rapidly(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a structure estimation method(2), indicates that chloropentafluoroethane is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is(3) based upon an estimated Henry's Law constant of 5.6 atm-cu m/mole(SRC), derived from its vapor pressure, 6860 mm Hg(4), and water solubility, 58 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 4 hours and 5 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 20(SRC), from an estimated log Kow of 2.47(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Highly chlorinated/fluorinated compounds such as chloropentafluoroethane are not expected to biodegrade rapidly(9).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), chloropentafluoroethane, which has a vapor pressure of 6860 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase chloropentafluoroethane is essentially inert in the troposphere(3). Chlorpentafluoroethane will gradually diffuse into the stratosphere above the ozone layer where it will slowly degrade due to direct photolysis from UV-C radiation and contribute to the catalytic removal of stratospheric ozone(3). The atmospheric lifetime of this compound has been estimated at 330 years(4).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routes · 2 件

The substance can be absorbed into the body by inhalation.

inhalation, skin and/or eye contact (liquid)

Average Daily IntakeAIR INTAKE: Assuming the average tropospheric concentration of chloropentafluoroethane is about 4.1 parts per trillion (25.9 ng/cu m)(1), the average daily intake would be about 518 ng/day(SRC).

法規制情報

FDA Requirements · 3 件

The Food and Drug Administration (FDA), after consultation with the Environmental Protection Agency (EPA), is amending FDA's regulation on the use of ozone-depleting substances (ODSs) in selfpressurized containers to remove the essential-use designations for flunisolide, triamcinolone, metaproterenol, pirbuterol, albuterol and ipratropium in combination, cromolyn, and nedocromil used in oral pressurized metered-dose inhalers (MDIs). The Clean Air Act requires FDA, in consultation with the EPA, to determine whether an FDA-regulated product that releases an ODS is an essential use of the ODS. FDA has concluded that there are no substantial technical barriers to formulating flunisolide, triamcinolone, metaproterenol, pirbuterol, albuterol and ipratropium in combination, cromolyn, and nedocromil as products that do not release ODSs, and therefore they will no longer be essential uses of ODSs as of the effective dates of this rule. MDIs for these active moieties containing an ODS may not be marketed after the relevant effective date. DATES: Removal of Part 2.125(e)(2)(iii) and 2.125(e)(4)(vii) is effective June 14, 2010. Removal of Part 2.125(e)(1)(v) and 2.125(e)(4)(iv) is effective December 31, 2010. Removal of Part 2.125(e)(1)(iii) is effective June 30, 2011. Removal of 2.125(e)(2)(iv) and Part 2.125(e)(4)(viii) is effective December 31, 2013. /Ozone-Depleting Substances/

Use of ozone-depleting substances in foods, drugs, devices, or cosmetics. (a) As used in this section, ozone-depleting substance (ODS) means any class I substance as defined in 40 CFR part 82, appendix A to subpart A, or class II substance as defined in 40 CFR part 82, appendix B to subpart A. (b) Except as provided in paragraph (c) of this section, any food, drug, device, or cosmetic that is, consists in part of, or is contained in an aerosol product or other pressurized dispenser that releases an ODS is not an essential use of the ODS under the Clean Air Act. (c) A food, drug, device, or cosmetic that is, consists in part of, or is contained in an aerosol product or other pressurized dispenser that releases an ODS is an essential use of the ODS under the Clean Air Act if paragraph (e) of this section specifies the use of that product as essential. For drugs, including biologics and animal drugs, and for devices, an investigational application or an approved marketing application must be in effect, as applicable. ... (e) The use of ODSs in the following products is essential: ... (2) Metered-dose short-acting adrenergic bronchodilator human drugs for oral inhalation. Oral pressurized metered-dose inhalers containing the following active moieties: ... (iv) Pirbuterol. ... (4) Other essential uses. (iii) Anesthetic drugs for topical use on accessible mucous membranes of humans where a cannula is used for application. ... (vi) Metered-dose atropine sulfate aerosol human drugs administered by oral inhalation. ... (viii) Metered-dose ipratropium bromide and albuterol sulfate, in combination, administered by oral inhalation for human use. (ix) Sterile aerosol talc administered intrapleurally by thoracoscopy for human use. /Ozone-Depleting Substances/

The food additive chloropentafluoroethane may be safely used in food in accordance with the following prescribed conditions: (a) The food additive has a purity of not less than 99.97 percent, and contains not more than 200 parts per million saturated fluoro compounds and 10 parts per million unsaturated fluoro compounds as impurities. (b) The additive is used or intended for use alone or with one or more of the following substances: Carbon dioxide, nitrous oxide, propane, and octafluorocyclobutane complying with part 173.360, as an aerating agent for foamed or sprayed food products, with any propellant effect being incidental and no more than is minimally necessary to achieve the aerating function, except that use is not permitted for those standardized foods that do not provide for such use. (c) To assure safe use of the additive (1) The label of the food additive container shall bear, in addition to the other information required by the act, the following: (i) The name of the additive, chloropentafluoroethane. (ii) The percentage of the additive present in the case of a mixture. (iii) The designation "food grade". (2) The label or labeling of the food additive container shall bear adequate directions for use.

化学と産業

薬理情報

Mechanism of Action · 1 件

Freons are toxic to humans by several mechanisms. Inhaled fluorocarbons sensitized the myocardium to catecholamines, frequently resulting in lethal ventricular arrhythmias. Because they are gases heavier than air, fluorocarbons can displace atmospheric oxygen, thus resulting in asphyxiation. These compounds also have a central nervous system (CNS) anesthetic effect analogous to a structurally similar general anesthetic, halothane. Pressurized refrigerant or liquid fluorocarbons with a low boiling point have a cyrogenic effect on exposed tissues, causing frostbite, laryngeal or pulmonary edema, and gastrointestinal perforation. Certain fluorocarbons degrade at high temperatures into toxic products of chlorine, hydrofluoric acid, or phosgene gases. /Freons/

Absorption, Distribution and Excretion · 5 件

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

Abosrption of fluorocarbons is much lower after oral ingestion (35-48 times) than after inhalation. ... The lung generally has the highest fluorocarbon concentrations on autopsy. /Fluorocarbons/

Although fluorocarbons cause cardiac sensitization in certain animal species, rapid elimination prevents the development of cardiotoxic concentrations from aerosol bronchodilator use except at exceedingly high doses (12 to 24 doses in 2 minutes). /Fluorocarbons/

Oral toxicity studies with animals showed minimal absorption of CFC-115 from the gastrointestinal tract. Dogs showed peak levels < 0.2 mg CFC-115/mL of venous blood after being intubated intragastrically with a maximal single dose of about 1 g/kg body weight CFC-115 contained in an edible food topping.

... Postmortem toxicology revealed blood concentrations of chlorodifluoromethane and chloropentafluoroethane of 71 mg/L and 0.30 mg/L, respectively. Brain, liver, and lung concentrations of chlorodifluoromethane were (mg/kg) 2.8, 4.4, and 1.6, respectively. Brain, liver, and lung concentrations of chloropentafluoroethane were (mg/kg) 0.80, 0.80, and 0.11, respectively. ...

Cellular LocationsCytoplasm

用途と製造

Uses · 6 件

CFC-115 has been used as a refrigerant and aerosol propellant; [ACGIH]

See CHLOROFLUOROCARBONS

Refrigerant /Former use/

SRP: /Former use/ propellant in aerosol food preparations.

Dielectric gas

Mechanical vapor compression systems use fluorocarbons for refrigeration & air conditioning & account for ... majority of refrigeration capability in us. Fluorocarbons are used as refrigerants in home appliances, mobile air conditioning units, retail food refrigeration systems & ... chillers. /Fluorocarbons/

Impurities · 1 件

Chlorofluoroalkanes (and also the alternative HCFCs and HFCs) produced on an industrial scale are subject to stringent standards. Impurities must not exceed the following limits (vol %): acids, 0; moisture, <0.001; higher-boiling fractions, <0.05; and other gases, 2. /Chlorofluoroalkanes/

U.S. Production · 1 件

Ethane, chloropentafluoro- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Consumption Patterns · 1 件

Refrigeration/air conditioning, 43%; foam blowing agents, 20%; polymer precursors, 13%; solvent cleaning, 12% aerosol propellants, 2%; medical equipment sterilization, 3%; other, 7%. (1991). /Estimates are for CFC-11,-12,-113,-114,-115 and HCFC-22 only/

Methods of Manufacturing · 3 件

... Fluorination of 1,1,1-trichloro-2,2,2-trichloroethane with hydrogen fluoride at 450 °C over aluminum fluoride catalysts.

... Passage of perchloroethylene, chlorine, and hydrogen fluoride over aluminum trifluoride.

The most important commercial method for manufacturing CFCs and HCFCs is the successive replacement of chlorine by fluorine using hydrogen fluoride. The traditional, liquid-phase process uses antimony pentafluoride or a mixture of antimony trifluoride and chlorine as catalysts. Continuous vapor-phase processes that employ gaseous hydrogen fluoride in the presence of heterogenous chromium, iron, or fluorinated alumina catalysts also are widely used. Carbon tetrachloride, chloroform, and hexachloroethane (or tetrachloroethylene plus chlorine) are commonly used starting materials for one- and two-carbon chlorofluorocarbons. The extent of chlorine exchange can be controlled by varying the hydrogen fluoride concentration, the contact time, or the reaction temperature. /CFCs and HCFCs/

Formulations/PreparationsIt is available as a liquified gas in an azeotropic mixture of 48.8% chlorodifluoromethane with 51.2% chloropentafluoroethane; this mixed gas is designated fluorocarbon-502 ...

関連反応

9 件

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