기본 정보
- 표준 SMILES
FC(Cl)Cl- InChIKey
UMNKXPULIDJLSU-UHFFFAOYSA-N- 분자식
- CHCl2F
- 평균 분자량
- 102.92 g/mol
- 단동위원소 질량
- 101.94393361
개요
Dichlorofluoromethane 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 displacement of air. Exposure of the container to prolonged heat or fire may cause it to rupture violently and rocket.
이름 및 식별자
- 우선 이름
- Dichlorofluoromethane
- IUPAC
- dichloro(fluoro)methane
- 현지명
- 다이클로로모노플루오로메테인(디클로로모노플루오로메탄)
- 영어명
- Dichloromonofluoromethane
- 분자식
- CHCl2F
- 분자량
- 102.92
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
75-43-4- PubChem CID
- 6370
- DTXSID
DTXSID7052498- ChEMBL
CHEMBL116813- UNII
- 7GAO4CRJ0B
- EC Number
- 200-869-8
- Nikkaji
- J1.454K
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 4
- 형식 전하
- 0
- 복잡도
- 13.5
실험 및 물리화학적 성질
LogP
log Kow = 1.55
1.55
1.55
Density
1.48 at 68 °F (USCG, 1999) - Denser than water; will sink
Density: 1.405 g/cu cm 9 °C
1.48
1.405 @ 9°C
3.57(relative gas density)
Color/Form
Colorless heavy gas
Colorless gas ... [Note: A liquid below 48 degrees F. Shipped as a liquefied compressed gas]
Solubility
0.7 % at 86 °F (NIOSH, 2024)
In water, 1.88X10+04 mg/L at 25 °C
Soluble in carbon tetrachloride
69 parts/100 parts acetic acid; 108 parts/100 parts dioxane
> 10% in ethyl alcohol; > 10% in ethyl ether;> 10% in chloroform
0.95% weight at 25 deg in water
Boiling Point
48 °F at 760 mmHg (USCG, 1999)
8.9 °C
Heat of vaporization = 5.79 Kcal/mol at 25 °C; 6.01 kcal/mol at the boiling point
8.9 °C
48 °F
8.9 °C @760 [mm Hg]
Decomposition
When heated to decomposition it emits very toxic fumes of chloride and fluoride.
Toxic gases and vapors (such as hydrogen chloride, phosgene, and hydrogen fluoride) may be released when it decomposes.
물리화학적 성질
- 녹는점
- -135 °C · -135°C
- 끓는 점
- 8.9 °C · 8.9°C
- 밀도
- 1 · 1,354 g/cm3
- 증기압
- 1 · 1,216 at 11.8 °C (NIOSH, 1997)
- 굴절률
- 1.354 · 1.3540
- 용해도
- 아세트산, 알코올 및 에테르에 용해됨(Weast, 1986)
- 물리적 상태
- 무색 가스
- 색상
- 에테르와 같은 냄새가 나는 무색의 액체 또는 기체
- 수용성
- 30 °C에서 · 30°C에서 0.7wt%(NIOSH, 1997)
- 비열
- 0.59 J/ · Cp(gas): 0.59 J/(g·K), at 25℃
- Henry's Law Constant
- 9.1 · 9.1×10-4 mol/(m3Pa) at 25℃, HSDB (2015)
- Dielectric constant
- 5.3 · 5.3(28℃)
- NIST
- Methane, dichlorofluoro-(75-43-4)
- EPA
- -21 · HCFC-21 (75-43-4)
- ECETOC JACC REPORT
- Dichloromonofluoromethane (75-43-4)
화학적 성질
Dichlorofluoromethane is a heavy, colorless gas or liquid (below 9C) with a slight ethereal odor.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.9% (1 of 114) of reports.
Warning
H280 (99.1%): 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 114 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: Methane, dichlorofluoro-
Dichlorofluoromethane: 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.
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.)
Fire Hazards
Special Hazards of Combustion Products: Toxic fumes of chlorine and fluorine may be produced in fire. (USCG, 1999)
· Some may burn but none ignite readily.
Not combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Health Hazards
INHALATION: May cause giddiness, light-headedness, disorientation, nausea, vomiting, narcosis, cardiac dysrhythmias, hypotension, and death. SKIN: May cause frostbite or irritation. EYES: May cause irritation or cold injury. (USCG, 1999)
· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.
DOT ID and Guide
1029 126
1029 126
TSCA Requirements
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. Dichloromonofluoromethane is included on this list. Effective date: 4/13/89; Sunset date: 12/19/95.
OSHA Standards
Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 1000 ppm (4200 mg/cu m).
Vacated 1989 OSHA PEL TWA 10 ppm (40 mg/cu m) is still enforced in some states.
안전 및 보호
Fire Fighting
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
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
· 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
Excerpt from NIOSH Pocket Guide for Dichloromonofluoromethane:
General First Aid:
(General first aid procedures)
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
10.0 [ppm]
Fire Fighting Procedures
If material involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible.
Disposal Methods
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.
Incineration, preferably after mixing with another combustible fuel. Care must be exercised to assure complete combustion to prevent the formation of phosgene. An acid scrubber is necessary to remove the halo acids produced.
독성 정보
Body Burden
Personal air samples were collected from firefighters in Buffalo, NY while responding to 3 wood-frame building structure fires and one car fire; the range of dichlorofluoromethane detected in the breathing space varied from 0.67 to 12.1 ppm(1).
Dichlorofluoromethane was found in the expired air of 2 of 8 male volunteers; the amounts exhaled in these two subjects were 0.14 and 0.062 fg/hr(1). Dichlorofluoromethane was detected, but not quantified, in the expired air of a nonsmoking population of 62 males and females, suburban and urban residents(2). The percentage of subjects whose breath contained dichlorofluoromethane was not reported.
Interactions
If inhalation occurs, epinephrine or other sympathomimetic amines and adrenergic activators should not be administered since they will further sensitize heart to development of arrhythmias. /Fluorocarbons/
Adrenaline should not be admin, because of the possibility of inducing cardiac arrhythmias or arrest. /Flourocarbons/
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 32(SRC), determined from a structure estimation method(2), indicates that dichlorofluoromethane is expected to have very high mobility in soil(SRC). Volatilization of dichlorofluoromethane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.08X10-02 atm-cu m/mole(SRC), derived from its vapor pressure, 1.36X10+03 mm Hg(3), and water solubility, 1.88X10+04 mg/L(4). Dichlorofluoromethane exists as a gas above 9 °C and is expected to volatilize rapidly from dry soil surfaces based upon its vapor pressure(SRC). Dichlorofluoromethane has been observed to biodegrade under both aerobic and anaerobic conditions in various microcosm experiments using soil and sediment(5-7). Complete aerobic biodegradation of dichlorofluoromethane in soil by methanotrophic bacteria in 5-19 days has been reported(5).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 32(SRC), determined from a structure estimation method(2), indicates that dichlorofluoromethane 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 1.08X10-02 atm-cu m/mole derived from its vapor pressure, 1.36X10+03 mm Hg(4), and water solubility, 1.88X10+04 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 3 hours and 4 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 2(SRC), from an estimated log Kow of 1.55(7) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Dichlorofluoromethane has been observed to biodegrade under both aerobic and anaerobic conditions in various microcosm experiments using soil, aquatic sediment and sewage sludge(8-10). Approximately 93% and 50% degradation of dichlorofluoromethane in anoxic sediment samples collected from freshwater and saltwater wetlands occurred within 27 and 43 days, respectively, at 20 degrees(8). Rate constants for the neutral and alkaline hydrolysis reactions for dichlorofluoromethane are 2.1X10-10 and 5.4X10-09 L/mole-min, respectively(11); these rates correspond to a half-life of approximately 230 years(11).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dichlorofluoromethane, which has a vapor pressure of 1.36X10+03 mm Hg at 25 °C(2), is expected to exist solely in the gas-phase in the ambient atmosphere. Gas-phase dichlorofluoromethane 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 1.5 years(SRC), calculated from its rate constant of 2.90X10-14 cu cm/molecule-sec at 25 °C(3).
Exposure Routes
The substance can be absorbed into the body by inhalation.
inhalation, skin and/or eye contact (liquid)
Toxicity Summary
IDENTIFICATION AND USE: Dichlorofluoromethane is a colorless heavy gas that is used as a refrigerant, solvent, propellant and heat-exchange fluid. It is also referred to as CFC-21 but has fewer uses than other chlorofluorocarbons. HUMAN EXPOSURE AND TOXICITY: Inhalation of dichlorofluoromethane can cause confusion, drowsiness, and unconsciousness; and direct contact with skin can cause frostbite. Limited information was available on the toxicity and exposure to humans. One case study in which dicholorfluoromethane was one of the components of a water-repellent spray that was used in an insufficiently ventilated room by two young people, a 23 year man and his wife aged 21, who were admitted to the hospital with complaints of headache; nausea, dyspnea. Volatiles are frequently abused as inhalants. ANIMAL STUDIES: When administered alone to anesthetized mice at a concentration of 100,000 ppm, CFC-21 induced arrhythmia and sensitized the heart to epinephrine. Tachycardia with hypotension was observed in both monkeys and dogs that were anesthetized and exposed at 50,000-100,000 ppm. Bronchoconstriction was noted at 25,000 ppm. Repeated exposures have produced marked hepatic damage or failure. Ten of ten rats survived exposure at 10,000 ppm CFC-21, 6 hours per day, 5 days per week for 2 weeks, but their livers were grossly pale and heavy. Histopathologic examination showed centrilobular necrosis with related changes. In comparable 90-day series of exposure at 5000 and 1000 ppm levels, rats showed bilateral hair loss and excessive mortality (20 of 54 died at 1000 ppm, 15 of 54 at 5000 ppm). Four dogs exposed at both levels showed weight loss. Cirrhosis was evident in rats exposed at both levels, but with dogs histopathologic changes in the liver were mild and evident only at the 5000 ppm. CFC-21 has produced pre-implantation loss in pregnant rats exposed at 10,000 ppm. After exposure for 6 hr daily, on days 6 to 15 of gestation, 15 or 25 pregnant females had no viable fetuses or implantation sites on the uterine wall. Pregnancy outcome and fetal development in the other 10 rats were unaffected.
Signs and Symptoms
Confusion. Drowsiness. Unconsciousness.
ON CONTACT WITH LIQUID: FROSTBITE.
asphyxia, cardiac arrhythmias, cardiac arrest; liquid: frostbite
Effluent Concentrations
Dichlorofluoromethane was found in gases emanating from a simulated landfill(1); no quantitation was performed; the material in the simulated landfill consisted of municipal refuse and various loadings of municipal wastewater sludge(1). Dichlorofluoromethane was reported in landfill gas at a concentration of 93 mg/cu m(2); the site was a clay pit that received both municipal and industrial solid wastes, and liquid waste were at the sampling point(2). Dichlorofluoromethane was detected in municipal solid waste landfill gas at seven locations in the United Kingdom at concentrations ranging from 1-85 mg/cu m(3).
Soil Adsorption/Mobility
Using a structure estimation method based on molecular connectivity indices(1), the Koc for dichlorofluoromethane can be estimated to be 32(SRC). According to a classification scheme(2), this estimated Koc value suggests that dichlorofluoromethane is expected to have very high mobility in soil.
규제 정보
TSCA Requirements
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. Dichloromonofluoromethane is included on this list. Effective date: 4/13/89; Sunset date: 12/19/95.
안전 데이터
- OEB
- A
- OEL
- TWA: 10 ppm (40 mg/m3)
- IDLA
- 5,000 ppm
- tsca
- TSCA listed
- rtecs
- PA8400000
- ridadr
- UN 1029 (DICHLOROFLUOROMETHANE (REFRIGERANT GAS R 21))
- 독성
- LC50 (inhalation) for rats 49,900 ppm/4-h (quoted, RTECS, 1985).
- risk_code
- 59
- hazard_code
- N
- safety_code
- 59
- 위험 등급
- 2.2
- 기존화학 물질
- KE-05-0462
- 유해 물질 데이터
- 75-43-4(Hazardous Substances Data)
화학 및 산업
약리 정보
Absorption, Distribution and Excretion
... 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/
... Both trichlorofluoromethane and dichlorofluoromethane admin as high acute inhalation dosages were expired unchanged by dogs and rabbits.
There is a significant accumulation of propellants in brain, liver and lung compared to blood levels, signifying a tissue distribution of fluorocarbons similar to that of chloroform. /Fluorocarbons/
Absorption of fluorocarbons is much lower after oral ingestion (35-48 times) than after inhalation. ... The lung generally have the highest fluorocarbon concn on autopsy. /Fluorocarbons/
용도 및 제조
Uses
CFC-21 has been used as a solvent, refrigerant, and propellant. [ACGIH]
See CHLOROFLUOROCARBONS
Fully halogenated chlorofluorocarbons (CFCs) such as dichlorofluoromethane were scheduled for production phase-out in 1987 by the Montreal Protocol. 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.
Dichlorofluoromethane /HCFC-21/ has much less usage than other chlorofluorocarbons ... however, it has had application as a refrigerant in the aerospace industry, as a solvent, as propellant gas, and as a heat exchange fluid in geothermal energy applications.
Used as a refrigerant, solvent, propellant and heat-exchange fluid
Impurities
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; other gases, 2. /Chlorofluoroalkanes/
Consumption Patterns
REFRIGERANTS, 39%; FOAM BLOWING AGENTS, 14%; SOLVENTS, 14%; FLUOROPOLYMERS, 14%; STERILANT GAS, 2%; AEROSOL PROPELLANTS, 2%; FOOD FREEZANT, 1%; OTHER, 8%; EXPORTS, 3% (1985) /FLUOROCARBONS/
Refrigeration/air conditioning, 43%; foam blowing agents, 20%; polymer precursors, 13%; solvent cleaning, 12%; aerosol propellants, 2%; medical equipment sterilization, 3%; other, 7% /Fluorocarbons/
Methods of Manufacturing
Reaction of chloroform and hydrogen fluoride.
The most important commercial method for manufacturing /chlorofluoro carbons/ is the successive replacement of chlorine by fluorine using hydrogen fluoride ... CHCl2F /Freon 21/ is produced by reacting chloroform with HF
General Manufacturing Information
Methane, dichlorofluoro-: ACTIVE
Per 40 CFR 82, which implements the Montreal Protocol, dichlorofluoromethane will no longer be produced or imported in the United States after 2015, except for its use as a refrigerant in equipment manufactured before 1/1/2020; no production or importing after 1/1/2030 will be allowed.
응용 분야
용도Fire extinguishers; solvent; refrigerant.
일반 설명Dichloromonofluoromethane is a colorless, odorless gas. Dichloromonofluoromethane is shipped as a liquid under its own vapor pressure. Contact with the liquid may cause frostbite to unprotected skin. Dichloromonofluoromethane can asphyxiate by displacement of air. Exposure of the container to prolonged heat or fire may cause Dichloromonofluoromethane to rupture violently and rocket.
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