기본 정보
- 표준 SMILES
FC(F)F- InChIKey
XPDWGBQVDMORPB-UHFFFAOYSA-N- 분자식
- CHF3
- 평균 분자량
- 70.014 g/mol
- 단동위원소 질량
- 70.00303469
개요
Trifluoromethane is a colorless nonflammable gas. It is shipped as a liquid under pressure. It may be narcotic in high concentrations. Under prolonged exposure to fire or heat the containers may rupture violently and rocket. It is used as a refrigerant.
이름 및 식별자
- 우선 이름
- Trifluoromethane
- IUPAC
- fluoroform
- 현지명
- 플루오로폼(플루오르포름)
- 영어명
- Trifluoromethane
- 분자식
- CHF3
- 분자량
- 70.01
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
75-46-7- PubChem CID
- 6373
- DTXSID
DTXSID0026410- ChEBI
CHEBI:41550- UNII
- ZJ51L9A260
- EC Number
- 200-872-4
- Nikkaji
- J2.392B
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 4
- 형식 전하
- 0
- 복잡도
- 8
실험 및 물리화학적 성질
LogP
log Kow = 0.64
0.64
Density
0.673 g/cu cm at 25 °C (pressure > 1 atm)
Density: 1.935 (solid); critical density: 0.516. Chemically very inert. Stable up to 1150 °C
Relative density (water = 1): 1.44
Color/Form
Colorless gas
Liquefied gas
Solubility
In water, 4.09X10+3 mg/L at 25 °C
Very soluble in ethanol; soluble in acetone, benzene; slightly soluble in chloroform
75 mL/100 mL water
500 mL/100 mL alcohol
Solubility in water: none
Boiling Point
-82.0 °C
-84.4 °C
-82.2 °C @760 [mm Hg]
Decomposition
When heated to decomposition it emits toxic fumes of ... /fluoride/.
All fluorocarbons will undergo thermal decomposition when exposed to flame or red-hot metal. /Fluorocarbons/
The decomposition of trifluoromethane (CHF3) was carried out using non-thermal plasma generated in a dielectric barrier discharge (DBD) reactor. The effects of reactor temperature, electric power, initial concentration and oxygen content were examined. The DBD reactor was able to completely destroy CHF3 with alumina beads as a packing material. The decomposition efficiency increased with increasing electric power and reactor temperature. The destruction of CHF3 gradually increased with the addition of O2 up to 2%, but further increase in the oxygen content led to a decrease in the decomposition efficiency. The degradation pathways were explained with the identified by-products. The main by-products from CHF3 were found to be COF2, CF4, CO2 and CO although the COF2 and CF4 disappeared when the plasma were combined with alumina catalyst.
Melting Point
-155.18 °C
-155 °C
-163 °C
물리화학적 성질
- 녹는점
- 160 °C · −160 °C(lit.)
- 끓는 점
- 84 °C · −84 °C(lit.)
- 밀도
- 1.246 · 1.246
- 증기 밀도
- 2.43 · 2.43 (vs air)
- 증기압
- 635 psi · 635 psi ( 21 °C)
- 굴절률
- 1.215 · 1.2150
- 수용성
- 약간 용해됨
- 비열
- 0.73 J/ · Cp(gas): 0.73 J/(g·K), at 25℃
- Merck
- 13 · 13,4200
- Henry's Law Constant
- 1.3 · 1.3×10-4 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChIKey
- XPDWGBQVDMORPB-UHFFFAOYSA-N
- NIST
- Methane, trifluoro-(75-46-7)
- EPA
- -23 · HFC-23 (75-46-7)
화학적 성질
Trifluoromethane, also known as Halocarbon-23, is a colorless, nonflammable, and nontoxic gas with a slight ethereal odor at ambient conditions.
안전 및 규제
GHS 분류
GHS Classification
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 179 reports by companies from 5 notifications to the ECHA C&L Inventory.
Warning
H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
유해성 정보
Regulatory Information
Chemical: Methane, trifluoro-
Methane, trifluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methane, 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)
Status: Active Update: 17-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5767
Trifluoromethane: 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 Label
Non-Flammable Gas
Non-Flammable Gas
Fire Hazards
Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:
Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:
· Non-flammable gases.
· Some may burn but none ignite readily.
Not combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Health Hazards
Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:
Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:
· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.
· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.
DOT ID and Guide
3136 120
1984 126
Reactive Group
Fluorinated Organic Compounds
Fluorinated Organic Compounds
Reactivity Profile
TRIFLUOROMETHANE is chemically inert in many situations, but can react violently with strong reducing agents such as the very active metals and the active metals. They suffer oxidation with strong oxidizing agents and under extremes of temperature.
TRIFLUOROMETHANE attacks magnesium and its alloys. [Handling Chemicals Safely 1980. p. 936]. Contact of very cold liquefied gas with water may result in vigorous or violent boiling of the product and extremely rapid vaporization due to the large temperature differences involved. If the water is hot, there is the possibility that a liquid "superheat" explosion may occur. Pressures may build to dangerous levels if liquid gas contacts water in a closed container [Handling Chemicals Safely 1980].
안전 및 보호
Fire Fighting
Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:
Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:
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.
· 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 ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:
Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:
General First Aid:
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures
Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.
Use water spray to cool unopened containers.
If material on fire or 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. Do not use water on material itself. Use water spray to knock-down vapors.
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Contents under pressure.
May be stored over water.
Cleanup Methods
ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas; Environmental precautions: Do not let product enter drains; Methods and materials for containment and cleaning up: Clean up promptly by sweeping or vacuum.
Nonfire Spill Response
Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:
Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:
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.
Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material; Contaminated packaging: Dispose of as unused product.
독성 정보
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 trifluoromethane is expected to have very high mobility in soil(SRC). Volatilization of trifluoromethane from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 0.0952 atm-cu m/mole(3). Trifluoromethane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 35,300 mm Hg at 25 °C(4). Biodegradation in soil is not expected based on aerobic pure culture studies(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 trifluoromethane is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 0.0952 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2.5 hours and 3.3 days, respectively(SRC). Estimated hydrolysis half-lives of 5.1 years and 190 days at pH values of 7 and 8, respectively(2), suggest that hydrolysis is not expected to be an important process(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow of 0.64(6) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation in water is not expected based on aerobic pure culture studies(7).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), trifluoromethane, which has a vapor pressure of 35,300 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase trifluoromethane 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 140-160 years(SRC), calculated from rate constants of 2.7X10-16 to 2.8X10-16 cu cm/molecule-sec at 25 °C(3-5). Trifluoromethane does not contain chromophores that absorb at wavelengths >290 nm(6) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC). This relatively slow half-life in the lower atmosphere suggests that some trifluoromethane may gradually diffuse into the stratosphere(SRC). The diffusion half-life for transport from the troposphere to the stratosphere is on the order of 20 years(7). Trifluoromethane has Global Warming Potentials of 8200-15,486 (20 Yr), 9200-19,691 (100 Yr) and 9900-15,547 (500 Yr(4, 8-11). The atmospheric life-time for trifluoromethane has been calculated to be 234-295 years(4, 8-11).
Toxicity Summary
IDENTIFICATION AND USE: Trifluoromethane (FC-23) is a colorless, odorless gas, or liquefied gas. It is used as refrigerant, intermediate in organic synthesis, direct coolant for infrared detector cells, blowing agent for urethane foams, and component in etch gas for integrated circuits material. HUMAN EXPOSURE AND TOXICITY: Five normal healthy male volunteers were exposed to concentrations of FC-23 between 10% and 60% (randomly interleaved with exposures to both room air and 40% nitrous oxide) in a within-subjects, double-blind design. Analyses of individual cases and ranked group data showed that individuals tolerated the 30% concentration of FC-23. ANIMAL STUDIES: In cats, inhaled at 60%, trifluoromethane had no effect on cerebral blood flow, the cerebral metabolic rate for oxygen, or oxyhemoglobin content. At 70%, trifluoromethane sensitized the cats' hearts to epinephrine, but to a much lesser degree than 40% chlorodifluoromethane, and produced only moderate changes in cerebral electrical activity as measured by the electroencephalogram. In other study, the acute cardiac and central nervous system effects of trifluoromethane were evaluated in eight anesthetized baboons. A dose-response effect was established for respiratory rate, electroencephalogram, and cardiac sinus rate, which exhibited a stepwise decrease from 10% trifluoromethane. No spontaneous arrhythmias were noted, and arterial blood pressure remained unchanged at any inspired level. Intravenous epinephrine infusions induced transient cardiac arrhythmia in 1 animal only at 70% (v/v) trifluoromethane. Trifluoromethane appears to induce mild dose-related physiological changes at inspired levels of 30% or more, indicative of an anesthetic effect. It significantly increased mutation rates in progeny of Drosophila over control levels.
Signs and Symptoms
Confusion. Drowsiness.
ON CONTACT WITH LIQUID: FROSTBITE.
Effluent Concentrations
Trifluoromethane has been detected in stack emissions effluent as a result of waste incineration(1). Trifluoromethane was detected in the effluent of feedstock/process emissions in The Netherlands in 1990 at a rate of 4797 kilo tons CO2 equivalents/year(2). Trifluoromethane emissions increased from 0.08 Gg/year to 15.4 Gg/year in China from 1980 to 2012(3).
Trifluoromethane is released into the atmosphere as a byproduct in the production of chlorodifluoromethane (a widely used chemical in refrigeration and air conditioning) and is used as a feedstock in pentafluoroethane production and fluoropolymer manufacture(1). Estimated release of trifluoromethane (Gg/year) in Asian countries is as follows(1):[Table#5269]
Soil Adsorption/Mobility
Using a structure estimation method based on molecular connectivity indices(1), the Koc of trifluoromethane can be estimated to be 32(SRC). According to a classification scheme(2), this estimated Koc value suggests that trifluoromethane is expected to have very high mobility in soil.
Human Toxicity Excerpts
/HUMAN EXPOSURE STUDIES/ Animal studies show FC-23 to be a promising magnetic resonance imaging indicator of regional cerebral blood flow. In a Phase 1, dose ranging (investigative new drug) study, neuropsychological (NP) tests, subjective ratings, and intensive physiological monitoring were used to determine the maximum tolerated concentration of FC-23 for human application. Five normal healthy male volunteers were exposed to concentrations of FC-23 between 10% and 60% [randomly interleaved with exposures to both room air and 40% nitrous oxide (N2O)] in a within-subjects, double-blind design. Analyses of individual cases and ranked group data showed that individuals tolerated the 30% concentration of FC-23 according to established criteria. Planned comparisons indicated that inhalation of FC-23 produced smaller NP changes and fewer negative symptoms than 40% N2O but poorer NP performance and more negative symptoms than room air. This study indicated that FC-23 is not inert and that humans do not tolerate concentrations suitable for current MRI technology.
/HUMAN EXPOSURE STUDIES/ Nuclear magnetic resonance (NMR) imaging shows promise in the measurement of human cerebral blood flow (CBF) in that nonradioactive indicators may be used. Our earlier investigations with trifluoromethane (FC-23) gas have shown that this compound can be used to safely and effectively measure CBF in anesthetized animal models. In this Phase I dose-escalation study we set out to determine the maximal tolerated concentration (MTC) of FC-23 in normal healthy male volunteers and to assess its feasibility as an NMR indicator. Five subjects were exposed in a blinded fashion to escalating concentrations of FC-23 between 10% and 60%, randomly interleaved with exposures to both room air and 40% nitrous oxide. On each study day, the subjects breathed the test gas for eight pulses of 3 min each with 2-min clearance periods between the pulses. The subjects underwent intensive physiologic and neurobehavioral monitoring throughout the study period. The first subject experienced an anesthetic response to 60% FC-23, and the second subject experienced "discomfort" and requested discontinuation at the initiation of 40% FC-23. The MTC was subsequently determined to be 30% FC-23 (all subjects tolerated the gas), although a small (37.6 vs. 40.5) but statistically significant retention of carbon dioxide was found (p = .003). When one subject received 30% FC-23 during an NMR imaging study, a pronounced anesthetic effect with intolerable hyperacusis was demonstrated. Human studies of FC-23 have been discontinued in our laboratory.
/SIGNS AND SYMPTOMS/ Early ... human experience indicated that high vapor concn (eg, 20%) may cause confusion, pulmonary irritation, tremors & rarely coma, but that these effects were generally transient & without late sequelae. ... Cause of death /from abuse of fluorocarbons/ is in considerable doubt. Freezing of airway soft tissues can probably be eliminated as a cause of death except in cases where the product was sprayed directly into the mouth from its container or from a balloon containing some liquid. Laryngeal spasm or edema, oxygen displacement, or sensitization of myocardium to endogenous catecholamines with subsequent ventricular fibrillation appear to be reasonable possibilities. /Fluorocarbon refrigerants & propellants/
Artificial Pollution Sources
Trifluoromethane's production and use as a refrigerant, a chemical intermediate, a direct coolant for infrared detector cells and a blowing agent for urethane foams(1) may result in its release to the environment through various waste streams(SRC).
Environmental Bioconcentration
An estimated BCF of 3 was calculated in fish for trifluoromethane(SRC), using a log Kow of 0.64(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- PB6900000
- ridadr
- UN 3136 2.2 (TRIFLUOROMETHANE, REFRIGERATED LIQUID)
- HS 번호
- 2903410000
- hazard_code
- F
- safety_code
- 38
- 위험 등급
- 2.2
- 기존화학 물질
- KE-34244
- DOT ClassificationII
- 2.2 (Non-flammable gas)
- 유해 물질 데이터
- 75-46-7(Hazardous Substances Data)
화학 및 산업
약리 정보
용도 및 제조
Uses
Used as a refrigerant, fire extinguishing agent, blowing agent for polyurethane foams, and intermediate in chemical production; [HSDB]
Refrigerant, intermediate in organic synthesis, direct coolant for infrared detector cells, blowing agent for urethane foams.
Refrigerant for low temperatures.
In refrigeration and air-conditioning systems ... CFC 13 /is replaced/ by HFC 23.
Component in etch gas for integrated circuits material
U.S. Production
2023: 550,000 - <700,000 lb
Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Methane, trifluoro-. National Production Volume: Withheld.
Methods of Manufacturing
In ethylene glycol solution at 180 °C, ... /sodium trifluoroacetate/ can be made to decompose quantitatively to trifluoromethane and carbon dioxide if a boric acid buffer is present.
Prepared from CHCl3 /chloroform/ and HF /hydrogen fluoride/.
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.
General Manufacturing Information
Computer and Electronic Product Manufacturing
Methane, trifluoro-: ACTIVE
응용 분야
개요Trifluoromethane, CHF3, also known as fluoroform, propellant 23, and refrigerant 23, is a colorless gas that is nonflammable. There are no hazards listed for trifluoromethane. It may be an asphyxiant gas and displace oxygen in the air and in confined spaces. The fourdigit UN identification number is 2035 for the compressed gas and 3136 for the cryogenic liquid. The primary uses for trifluoromethane are as a refrigerant, as a direct coolant for infrared detector cells, and as a blowing agent for urethane foams.Strictly speaking, fluorocarbon compounds contain only the elements carbon, fluorine, and sometimes hydrogen. However, in industrial applications such as refrigerants and aerosol propellants, the term fluorocarbon has been used to include compounds containing chlorine and bromine atoms, or both. These industrial products have somewhat similar chemical and physical properties. Their relatively inert character and wide range of vapor pressures and boiling points make them especially well suited as refrigerants in a variety of applications, blowing agents for plastic foams, and aerosols.
용도Refrigerant for low temperetures.
일반 설명Trifluoromethane is a colorless nonflammable gas. Trifluoromethane is shipped as a liquid under pressure. Trifluoromethane may be narcotic in high concentrations. Under prolonged exposure to fire or heat the containers may rupture violently and rocket. Trifluoromethane is used as a refrigerant.
제조 방법
Iodoform, and powdered CaF2 (as diluent) are ground together in a 20 : 33.4 : 40 ratio and placed in a 100ml glass flask, the outlet of which is joined to a liquid nitrogen-cooled trap, which in turn is connected to a drying tube containing P2O5.The flask is now heated by means of a sulfuric acid bath. The exothermic reaction starts at appr. 80°C and the temperature rises to appr. 180°C. Crude CHF3, colored by iodine, is collected in the trap.After completion of the reaction, the product is fractionated. The cut coming over at a bath temperature between -40 and -30°C is practically pure CHF3. It is washed with 2N NaOH and dried over P2O5;. The yield is 45%.
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