Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,1,1-트라이클로로-2,2,2-트라이플루오로에테인
1,1,1-트라이클로로-2,2,2-트라이플루오로에테인 · TF · f113a · R113a · 1,1,1-TRICHLORO-2,2,2-TRIFLUOROETHANE · 2-CHLORO-1,1,1-TRIFLUOROETHANE · HCFC-133A · CFC-113A
식별자 및 물리적 특성
| CAS No. | 26523-64-8 |
|---|---|
| 분자식 | C2Cl3F3 |
| 평균 분자량 | 187.37 g/mol |
| 단동위원소 질량 | 185.9017677 g/mol |
| SMILES | FC(F)(F)C(Cl)(Cl)Cl |
| InChIKey | BOSAWIQFTJIYIS-UHFFFAOYSA-N |
| PubChem CID | 9635 |
| EC No. | 206-564-6 |
| DTXSID | DTXSID5027148 |
| 현지명 | 1,1,1-트라이클로로-2,2,2-트라이플루오로에테인 |
화학 및 물리적 성질
| XLogP | 3.2 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 79.5 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| Solvents | Solvents -> Chlorofluorocarbons |
| SpringerMaterials Properties | 19F nuclear magnetic resonance spectrum |
| 냄새 | Expected to be nearly odorless |
| 밀도 | 1.5790 g/cu cm at 20 °CDensity: 1.579 g/mL at 20 °C (liquid)1.579 @25 °C1.579 g/mL at 25 °C(lit.) |
| Color/Form | Colorless gas |
| 용해도 | Soluble in ethanol, chloroform, ethyl etherinsoluble in water |
| 끓는 점 | 45.5 °CBP: 45.8 °C at 101.3 kP45.8 °C @760 [mm Hg]45,7°C |
| Decomposition | When heated to decomposition it emits toxic vapors of /hydrogen fluoride and hydrogen chloride/.Under certain conditions, /chlorofluorocarbon/ vapors may decompose on contact with flames or hot surfaces, creating the potential hazard of inhalation of toxic decomposition products. /Chlorofluorocarbon/The appearance of toxic decomposition products serves as warning of the occurrence of thermal decompositon and detection of a sharp acrid odor warns of the presence of these products. /Fluorocarbons/ |
| 녹는점 | 14.37 °C14.2 °C14°C |
| 증기압 | 360.0 [mmHg]360 mm Hg at 25 °C360 [mm Hg] @25 °C47.87kPa at 25℃ |
| 굴절률 | Index of refraction = 1.3610 at 25 °C/D |
| 인화점 | None |
| 용해도 | 8.7mg/L at 25℃ |
| 헨리 상수 | 3.7×10-5 mol/(m3Pa) at 25℃, HSDB (2015) |
| 유전율 | 2.4399999999999999 |
| InChI | InChI=1S/C2Cl3F3/c3-1(4,5)2(6,7)8 |
| InChIKey | BOSAWIQFTJIYIS-UHFFFAOYSA-N |
| SMILES | C(Cl)(Cl)(Cl)C(F)(F)F |
| LogP(분배 계수) | 4.6 at 25℃ |
| EPA | CFC-113a (354-58-5) |
화학적 성질
clear colourless liquid
안전 및 규제
| GHS 분류 | WarningH420 (40.8%): Harms public health and the environment by destroying ozone in the upper atmosphere [Warning Hazardous to the ozone layer]P502</a, and a href="https://pubchem.ncbi.nlm.nih.gov/ghs/#P502">P502 (click each P-code to see the statement)Aggregated GHS information provided per 71 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Ethane, 1,1,1-trichloro-2,2,2-trifluoro-Ethane, 1,1,1-trichloro-2,2,2-trifluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1,1-trichloro-2,2,2-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)REACH registered substance: Trichlorotrifluoroethane (EC: 206-564-6) |
| 유해성 요약 | Low acute and chronic toxicityInhalation of high concentrations after a spill or abuse may cause CNS depression and cardiac arrhythmias[HSDB] An irritantInhalation may induce narcosis and incoordination[MSDSonline] See CHLOROFLUOROCARBONS. |
| FDA 요건 | 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/ |
| Special Reports | Production and Consumption of Ozone Depleting Substances under the Montreal Protocol 1986 - 2004[UNEPOzone Secretariat UNEP November 2005, Available from, as of march 11, 2013: http://ozone.unep.org/Publications/Production_and_consumption2005.pdf]The Montreal Protocol on Substances that Deplete the Ozone Layer[UNEPOzone Secretariat United Nations Environment Programme, The Montreal Protocol on Substances that Deplete the Ozone Layer, Available from, as of March 11, 2013: http://ozone.unep.org/pdfs/Montreal-Protocol2000.pdf]Achievements in Stratospheric Ozone Protection Progress Report: This report covers the important and substantial achievements of the people, programs, and organizations that are working to protect the Earth's ozone layer. As impressive as these accomplishments are, our work is not done. Even though we have reduced or eliminated the use of many ozone-depleting substances, some still remain. Additionally, since ozone-depleting substances persist in the air for long periods of time, the past use of these substances continues to affect the ozone layer today. We must also continue to ensure that the alternatives being brought to the market support the country's long-term environmental goals in a cost-effective manner.[EPAAchievements in Stratospheric Ozone Protection Progress Report, Available from, as of March 11, 2013: http://www.epa.gov/ozone/downloads/spd-annual-report_final.pdf]Ozone Secretariat. Twenty Questions and Answers about the Ozone Layer: 2010 Update. The questions address the nature of atmospheric ozone, the chemicals that cause ozone depletion, how global and polar ozone depletion occur, the success of the Montreal Protocol, and what could lie ahead for the ozone layer.[Available from, as of May 21, 2013: http://ozone.unep.org/Assessment_Panels/SAP/Scientific_Assessment_2010/]USEPAOzone Layer Protection - Alternatives/SNAP Program. List of Substitutes. Substitutes are reviewed on the basis of ozone depletion potential, global warming potential, toxicity, flammability, and exposure potential as described in the final SNAP rule (59 FR 13044). Lists of acceptable and unacceptable substitutes are updated several times each year.[Available from, as of May 21, 2013: www.epa.gov/ozone/snap/lists/index.html] |
| Hazard Classes and Categories | Ozone 1 (40.8%) |
| Firefighting Hazards | Very slight, when exposed to heat or flame. |
| 처리 방법 | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. 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 qualitypotential migration in soil or watereffects on animal and plant lifeand conformance with environmental and public health regulations. |
| Preventive Measures | Inhalation of vapors should be avoided. /Chlorofluorocarbon/Forced air ventilation at the level of vapor concentration together with the use of individual breathing devices with independent air supply will minimize the risk of inhalation. Lifelines should be worn when entering tanks or other confined spaces. /Chlorofluorocarbon/Enclosure of process materials and isolation of reaction vessels and proper design and operation of filling heads for packaging and shipping ... /are administrative controls that may be instituted to limit occupational exposure to chlorofluorocarbons during manufacture, packaging, and use/. /Chlorofluorocarbon/Filling areas should be monitored to ensure that the ambient CFC, /and/ HCFC ... /concentration does/ not exceed prevailing work standards. /Chlorofluorocarbon/SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants. Ensure that the local ventilation moves the contaminant away from the worker. |
| Protective Action Criteria (PAC) | 14 [ppm]150 [ppm]900 [ppm] |
| Personal Protective Equipment (PPE) | Forced air ventilation and level of vapor concentration together with the use of individual breathing devices with independent air supply will minimize risk of inhalation. Lifelines should be worn when entering tanks or other confined spaces. /Chlorofluorocarbon/Neoprene gloves, protective clothing, and eye protection minimize risk of topical contact. /Chlorofluorocarbon or Hydrochlorofluorocarbon/ |
| Other Standards Regulations and Guidelines | The Montreal Protocol on Substances that Deplete the Ozone Layer was designed to reduce the production and consumption of ozone depleting substances in order to reduce their abundance in the atmosphere, and thereby protect the earth's fragile ozone Layer. The original Montreal Protocol was agreed on 16 September 1987 and entered into force on 1 January 1989. The Montreal Protocol includes a unique adjustment provision that enables the Parties to the Protocol to respond quickly to new scientific information and agree to accelerate the reductions required on chemicals already covered by the Protocol. These adjustments are then automatically applicable to all countries that ratified the Protocol. Since its initial adoption, the Montreal Protocol has been adjusted five times. Specifically, the Second, Fourth, Seventh, Ninth, Eleventh and Nineteenth Meetings of the Parties to the Montreal Protocol adopted, in accordance with the procedure laid down in paragraph 9 of Article 2 of the Montreal Protocol, certain adjustments and reductions of production and consumption of the controlled substances listed in the Annexes of the Protocol. These adjustments entered into force, for all the Parties, on 7 March 1991, 23 September 1993, 5 August 1996, 4 June 1998, 28 July 2000 and 14 May 2008, respectively. In addition to adjusting the Protocol, the Parties to the Montreal Protocol have amended the Protocol to enable, among other things, the control of new chemicals and the creation of a financial mechanism to enable developing countries to comply. Specifically, the Second, Fourth, Ninth and Eleventh Meetings of the Parties to the Montreal Protocol adopted, in accordance with the procedure laid down in paragraph 4 of Article 9 of the Vienna Convention, four Amendments to the Protocol - the London Amendment (1990), the Copenhagen Amendment (1992), the Montreal Amendment (1997) and the Beijing Amendment (1999). Unlike adjustments to the Protocol, amendments must be ratified by countries before their requirements are applicable to those countries. The London, Copenhagen, Montreal and Beijing Amendments entered into force on 10 August 1992, 14 June 1994, 10 November 1999 and 25 February 2002, respectively, only for those Parties which ratified the particular amendments. In addition to adjustments and amendments to the Montreal Protocol, the Parties to the Protocol meet annually and take a variety of decisions aimed at enabling effective implementation of this important legal instrument. Through the 22nd Meeting of the Parties to the Montreal Protocol, the Parties have taken over 720 decisions. |
| 체내 부담 | 1,1,1-Trichloro-2,2,2-trifluoroethane was detected in the expired air of 6 out of 10 air samples taken from 8 smoking and non-smoking male volunteers from Texas, at expiration rates from 2.6-63.0 and 11.0-580 ug/kg, respectively(1). |
| 환경 거동 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a structure estimation method(2), indicates that 1,1,1-trichloro-2,2,2-trifluoroethane is expected to have moderate mobility in soil(SRC). Volatilization of 1,1,1-trichloro-2,2,2-trifluoroethane 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(3). 1,1,1-Trichloro-2,2,2-trifluoroethane is expected to volatilize from dry soil surfaces(SRC) based upon an measured vapor pressure of 360 mm Hg at 25 °C(4). Biodegradation data in soil were not available(SRC, 2012).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a structure estimation method(2), indicates that 1,1,1-trichloro-2,2,2-trifluoroethane 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 0.27 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 4 hours and 5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 51(SRC), from an estimated log Kow of 3.09(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Biodegradation data in water were not available(SRC, 2012).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,1,1-trichloro-2,2,2-trifluoroethane, which has a measured vapor pressure of 360 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. 1,1,1-Trichloro-2,2,2-trifluoroethane is essentially inert to reaction with photochemically generated radicals and ozone molecules(3,4). 1,1,1-Trichloro-2,2,2-trifluoroethane does not contain chromophores that absorb at wavelengths >290 nm(5) and, therefore, is not expected to undergo direct photolysis by sunlight in the troposphere(SRC). 1,1,1-Trichloro-2,2,2-trifluoroethane 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(6). |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| Ongoing Test Status | The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical.[Available from: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=354-58-5] |
| Effluent Concentrations | 1,1,1-Trichloro-2,2,2-trifluoroethane was detected as a component of landfill gases from sites in the UK at a measured concentration of 70 mg/cu-m in underground probes(1). 1,1,1-Trichloro-2,2,2-trifluoroethane was detected, not quantified at hazardous waste sites and a sanitary landfill in New Jersey(2). |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1,1,1-trichloro-2,2,2-trifluoroethane can be estimated to be 200(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,1,1-trichloro-2,2,2-trifluoroethane is expected to have moderate mobility in soil. |
| Atmospheric Concentrations | RURAL/REMOTE: 1,1,1-Trichloro-2,2,2-trifluoroethane was qualitatively detected in rural air samples, date and location not provided(1). The concentration of 1,1,1-trichloro-2,2,2-trifluoroethane in air samples collected at the South Pole, January 1985, was 11 ppb(2). |
| Human Toxicity Excerpts | /SIGNS AND SYMPTOMS/ Aerosol sprays containing fluorocarbon propellants are another source of solvent intoxication. Prolonged exposure or daily use may result in damage to several organ systems. Clinical problems include cardiac arrhythmias, bone marrow depression, cerebral degeneration, and damage to liver, kidney, & peripheral nerves. Death occasionally has been attributed to inhalant abuse, probably via the mechanism of cardiac arrhythmias, especially accompanying exercise or upper airway obstruction. /Fluorocarbon propellants//CASE REPORTS/ During the course of dockside ship maintenance, a compartment was partially flooded with Trichlorotrifluoroethane gas. One sailor entered the compartment, collapsed, and was then rescued by two other men. All three victims then climbed a 11-m (36-ft) ladder and collapsed. They all experienced a rapid development of cardiac arrest. /Investigators/ report on the pathologic, toxicologic, and pathophysiologic aspects of the incident./CASE REPORTS/ A case is presented of a 16-year-old male who died as a result of exposure to Trichlorotrifluoroethane while working in an open pit. Chromatographic results and tissue concentrations are presented./OTHER TOXICITY INFORMATION/ The available toxicological data on the fully halogenated chlorofluorocarbons reviewed in this monograph show a low acute and chronic toxicity and indicate no mutagenic or carcinogenic potential. The human health risks are mainly confined to occasional high exposures that may occur during the handling of these substances. In contrast, indirect effects from the accumulation of these substances in the stratosphere may lead to substantial effects on human health, mainly due to the depletion of stratospheric ozone resulting in an increase in effects from UV-B radiation. The projected increase in the incidence of non-melanoma skin cancers, a possible increase in melanoma skin cancers, and immunotoxic and ocular effects suggest that immediate action is required to reduce further stratospheric ozone depletion. /Halogenated chlorofluorocarbons//OTHER TOXICITY INFORMATION/ The toxicity of Chlorofluorocarbons (CFCs) had been considered to be lowit is absorbed via the lungs and undergoes little subsequent biotransformation. In the United States when sudden unexplained deaths of aerosol "sniffers" were reported they were considered to be possibly due to cardiac arrhythmias induced by the CFC propellants. /CFCs/ |
| Artificial Pollution Sources | 1,1,1-Trichloro-2,2,2-trifluoroethane's production and use as a solvent(1) and as an intermediate in the production of 2,3-dichloro-5-trifluoromethylpyridine(2) may result in its release to the environment through various waste streams(SRC). The compound is often present in low levels in CFC113(2). Fully halogenated chlorofluorocarbons (CFCs), such as 1,1,1-trichloro-2,2,2-trifluoroethane, were scheduled for production phase-out in 1987 by the Montreal Protocol(2). Although originally scheduled for 50% production phase-out by the year 2000 in developed countries, the worsening ozone depletion has forced acceleration of the CFC phase-out(2,3). |
| Environmental Biodegradation | Biodegradation data on 1,1,1-trichloro-2,2,2-trifluoroethanec in soil or water were not available.(SRC, 2012) |
| Sediment/Soil Concentrations | SEDIMENT: Trichlorotrifluoroethanes were detected in sediment samples at the site of an illegal dump site, The Valley of the Drums, KY, 1979 at a concentration of 5.4 mg/L(1). /Trichlorofluoroethanes/ |
| Environmental Bioconcentration | An estimated BCF of 51 was calculated in fish for 1,1,1-trichloro-2,2,2-trifluoroethane(SRC), using an estimated log Kow of 3.09(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | KJ3975000 |
| 운송 번호(UN) | 3082 |
| 독성 | LC50 ihl-rat: 13 pph/15M HUTODJ 1,239,82 |
| 관세 코드 | 29037720 |
| 위험 문구(R) | 59-36/37/38 |
| 위험 표시 | Xi,N |
| 안전 문구(S) | 23-24/25-61-59-36/37/39-26 |
| 위험 등급 | IRRITANT, OZONE DEPLETER |
| 기존화학 물질 | KE-34103 |
| 위험 참고 사항 | Irritant |
| 유해 물질 데이터 | 354-58-5(Hazardous Substances Data) |
용도
용도
CFC 113a has not been offered as a commercial product. It is, however, often present in low levels in CFC 113. It, like CFC 113, is being phased out since it is an ozone-depleting substance.