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Chlorotrifluoromethane

HCID 6392
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
75-72-9
Standard SMILES
FC(F)(F)Cl
InChIKey
AFYPFACVUDMOHA-UHFFFAOYSA-N
Molecular formula
CClF3
Average molar mass
104.46 g/mol
Monoisotopic mass
103.9640622

Overview

Chlorotrifluoromethane is a colorless odorless gas. 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.

Names & identifiers

Preferred name
Chlorotrifluoromethane
IUPAC
chloro(trifluoro)methane
English name
Chlorotrifluoromethane
Molecular formula
CClF3
Molecular weight
0

Names & synonyms

CHLOROTRIFLUOROMETHANETrifluoromethyl chloride75-72-9TrifluorochloromethaneGenetron 13MonochlorotrifluoromethaneMethane, chlorotrifluoro-Arcton 3Freon 13CFC-13Frigen 13Fluorocarbon 13
Show more names
TrifluoromonochlorocarbonHalocarbon 13/ucon 13Methane, monochlorotrifluoro-Khladon 13FC 13HSDB 140Refrigerant 13FREON-13

Database identifiers

CAS
75-72-9
PubChem CID
6392
DTXSID
DTXSID4052500
UNII
7C6U91JNED
EC Number
200-894-4
Nikkaji
J1.463J

Properties

Computed structural properties

XLogP
2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
5
Formal charge
0
Complexity
28.4

Experimental & physicochemical properties

SolventsSolvents -> Chlorofluorocarbons
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
LogP · 3 items

log Kow = 1.65

1.65

1.56

OdorEthereal
Density · 2 items

Critical density: 0.581 g/cu cm

Relative density (water = 1): 1.3

Color/FormColorless gas
Solubility · 2 items

Water solubility = 60.1 mg/l @ 25 °C

Solubility in water: none

Boiling Point · 4 items

-114 °F at 760 mmHg (USCG, 1999)

-81.4 °C @ 760 MM HG

-81.4 °C

-81.4 °C @760 [mm Hg]

DecompositionWhen heated to decomposition it emits highly toxic fumes of ... /hydrogen fluoride and hydrogen chloride/.

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

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 113 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

Hazard information

Regulatory Information · 3 items

Chemical: Methane, chlorotrifluoro-

Chlorotrifluoromethane: 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 items

Special Hazards of Combustion Products: Toxic fumes of Cl and F (USCG, 1999)

· Some may burn but none ignite readily.

Not combustible. Heating will cause rise in pressure with risk of bursting.

Fire PotentialNonflammable.
Health Hazards · 2 items

Exposure may cause nausea, dizziness, and headache, and rapid suffocation. Contact with skin may cause frostbite. (USCG, 1999)

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

Hazards SummaryLiquid contact may cause frostbite; [CHRIS] See CHLOROFLUOROCARBONS.

Chemistry & industry

Pharmacology

Absorption, Distribution and Excretion...MAIN FACTOR AFFECTING FATE OF FLUOROCARBONS IS BODY FAT, WHERE THEY ARE CONCENTRATED & SLOWLY RELEASED INTO BLOOD AT CONCN THAT SHOULD NOT CAUSE ANY RISK OF CARDIAC SENSITIZATION. /FLUOROCARBONS/

Uses & manufacturing

Uses · 4 items

Used as a refrigerant, coolant, dielectic, metal hardener, and etching gas; [HSDB]

Dielectric & aerospace chemical; coolant; hardening of metals

USED AS ETCH GAS IN INTEGRATED CIRCUIT BOARD MANUFACTURE /FROM TABLE/

Used as a refrigerant or as an azeotrope with CHF3 for very low temperature applications.

U.S. Production · 2 items

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS

Consumption Patterns · 2 items

CFC-13 ... IS /PRIMARILY USED/ AS A SPECIALTY LOW TEMPERATURE REFRIGERANT (1984)

REFRIGERANTS, 39%; FOAM BLOWING AGENTS, 17%; SOLVENTS, 14%; FLUOROPOLYMERS, 14%; STERILANT GAS, 2%; AEROSOL PROPELLANTS, 2%; FOOD FREEZANT, 1%; OTHER, 8%; EXPORTS, 3% (1985) /FLUOROCARBONS/

Methods of ManufacturingFrom dichlorodifluoromethane in vapor phase with aluminum chloride catalyst.
Formulations/PreparationsGrade: 99.0% minimum purity
General Manufacturing InformationMethane, chlorotrifluoro-: ACTIVE

Related reactions

3 records
New reaction record
HRID 1855834 reaction equation
HRID 1855834As reactantuspto-grants-1980_08
HRID 2058283 reaction equation
HRID 2058283As solventuspto-grants-1980_07
HRID 2058287 reaction equation
HRID 2058287As solventuspto-grants-1980_07

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Melting Point · 4 items

-294 °F (USCG, 1999)

-181 °C

-181 °C

-181 °C

Vapor Density · 2 items

1.298 at -22 °F (USCG, 1999) - Heavier than air; will sink (Relative to Air)

Relative vapor density (air = 1): 3.6

Vapor Pressure · 4 items

24816 mmHg (USCG, 1999)

21400.0 [mmHg]

21,400 mm Hg @ 25 °C

21400 [mm Hg] @25 °C

Physicochemical properties

Melting point
-181 °C · -181 °C
Boiling point
-81.4 °C · -81.4 °C
Density
1.3 g/cm3 · 1.3 g/cm3
RIDADR
1022 · UN 1022
HazardClass
2.2 · 2.2
DOT ID and Guide
1022 126
Reactive GroupFluorinated Organic Compounds
UN ClassificationUN Hazard Class: 2.2
Reactivity Profile · 1 item

The reaction of aluminum with various halogenated hydrocarbons produces a self-sustaining reaction with sufficient heat to melt aluminum pieces, examples of other halogenated hydrocarbons are fluorotrichloromethane, dichlorodifluoromethane, chlorodifluoromethane, tetrafluoromethane. The vigor of the reaction appears to be dependent on the combined degree of fluorination and the vapor pressure, [Chem. Eng. News 39(27):44(1961)].

Atmospheric Standards · 1 item

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Chlorotrifluoromethane is produced, as an intermediate or a final product, by process units covered under this subpart.

Chemical Dangers · 1 item

Decomposes on burning. Decomposes on contact with hot surfaces. This produces toxic and corrosive fumes including hydrogen chloride, hydrogen fluoride and phosgene. Incompatible with certain metal powders (aluminium, zinc, beryllium), certain alloys (zinc, magnesium), certain plastics and natural rubber.

Safety & protection

Fire Fighting · 2 items

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 items

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

ON FROSTBITE: rinse with plenty of water, do NOT remove clothes.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Accidental Release Measures · 2 items

· 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 · 2 items

INHALATION: Remove to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen.

General First Aid:

Safe StorageFireproof if in building.
Exposure Control and Personal Protection · 2 items

· Wear positive pressure self-contained breathing apparatus (SCBA).

1000.0 [ppm]

Fire Fighting Procedures · 1 item

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.

Nonfire Spill ResponseExcerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:
Spillage DisposalPersonal protection: self-contained breathing apparatus. Ventilation. NEVER direct water jet on liquid. Do NOT let this chemical enter the environment.
Preventive Measures · 3 items

SUFFICIENT EXHAUST & GENERAL VENTILATION SHOULD BE PROVIDED TO KEEP VAPOR CONCN BELOW RECOMMENDED LEVELS. /FLUOROCARBONS/

If material not involved in fire: Attempt to stop leak if without undue personnel hazard.

Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment.

Isolation and Evacuation · 2 items

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

Immediate precautionary measure

Eye PreventionWear safety goggles, face shield or eye protection in combination with breathing protection.

Toxicology

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 188(SRC), determined from a measured log Kow of 1.65(2) and a recommended regression-derived equation(3), indicates that chlorotrifluoromethane is expected to have moderate mobility in soil(SRC). Volatilization of chlorotrifluoromethane is expected from moist soil surfaces(SRC) given a measured Henry's Law constant of 1.38 atm-cu m/mole(4). Chlorotrifluoromethane is expected to volatilize rapidly from dry soil surfaces based on a vapor pressure of 2.14X10+4 mm Hg(SRC) at 25 °C(5). Highly chlorinated/fluorinated compounds are not expected to biodegrade rapidly(6).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 188(SRC), determined from a measured log Kow of 1.65(2) and a recommended regression-derived equation(3), indicates that chlorotrifluoromethane is not expected to adsorb to suspended solids and sediment in water(SRC). Chlorotrifluoromethane is expected to volatilize rapidly from water surfaces(3) based on a measured Henry's Law constant of 1.38 atm-cu m/mole(4). Estimated half-lives for a model river and model lake are 3 and 97 hours, respectively(SRC). According to a classification scheme(5), an estimated BCF value of 10(3,SRC), from the measured log Kow(2), suggests that bioconcentration in aquatic organisms is low(SRC). Highly chlorinated/fluorinated compounds are not expected to biodegrade rapidly(6).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), chlorotrifluoromethane, which has a measured vapor pressure of 2.14X10+4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase chlorotrifluoromethane is slowly degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 62 years(3,SRC). This compound 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(4,SRC). The half-life for this reaction has been estimated to range from 180 to 450 years(4).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation.
Milk ConcentrationsChlorotrifluoromethane was identified, not quantified, in 4 of 8 human milk samples obtained from Bayonne, NJ; Pittsburgh, PA; Jersey City, NJ and Baton Rouge, LA(1).
Signs and Symptoms · 3 items

Confusion. Dizziness. Headache. Unconsciousness.

ON CONTACT WITH LIQUID: FROSTBITE.

See Skin.

ICSC Environmental DataAvoid release to the environment because of its impact on the ozone layer.
Soil Adsorption/Mobility · 1 item

The Koc of chlorotrifluoromethane is estimated as approximately 188(SRC), using a measured log Kow of 1.65(1) and a regression-derived equation(2). According to a recommended classification scheme(3), this estimated Koc value suggests that chlorotrifluoromethane is expected to have moderate mobility in soil(SRC).

Atmospheric Concentrations · 2 items

Chlorotrifluoromethane was detected in the troposphere above the Antarctic region at concentrations of 3.6 and 3.2 parts per trillion, with an average global concentration estimated as 4.0 parts per trillion(1). Chlorotrifluoromethane was detected at a concentrations of 3.9 parts per trillion (14.4 kilometers above the earth's surface) and 2.3 parts per trillion (33.2 kilometers above the earth's surface)(2).

Trace gases have been measured, by electron-capture gas chromatography and gas chromatography-mass spectrometry, at the South Pole (SP) in Antarctica and in the US Pacific Northwest (PNW) (aprox 45 deg N) during Jan of each year 1975-80. The concn of chlorotrifluoromethane increased at a rate of 12%/yr at the SP and 8%/yr in the PNW.

Human Toxicity Excerpts · 5 items

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 ENDOGENOUS CATECHOLAMINES WITH SUBSEQUENT VENTRICULAR FIBRILLATION APPEAR TO BE REASONABLE POSSIBILITIES. /FLUOROCARBON REFRIGERANTS & PROPELLANTS/

EXCESSIVE SKIN CONTACT WITH LIQUID FLUOROCARBONS SHOULD BE MINIMIZED TO PREVENT DEFATTING OF SKIN... /FLUOROCARBONS/

A SPECIAL CLASS OF CHEMICALS SUBJECT TO ABUSE BY INHALATION ARE THE FLUOROHYDROCARBONS... THE "SNIFFING" OF SUCH AEROSOL SPRAYS IS HAZARDOUS PRACTICE. ...110 "SUDDEN SNIFFING DEATHS" /HAVE BEEN IDENTIFIED/... IN EACH CASE THE VICTIM SPRAYED THE AEROSOL INTO A PLASTIC BAG, INHALED THE CONTENTS, BECAME EXCITED, RAN 90 M OR SO, COLLAPSED, & DIED. NECROPSY FINDINGS WERE LARGELY NEGATIVE... ALTHOUGH AMOUNT OF PROPELLANT ABSORBED INTO BLOOD FROM USE OF HAIRSPRAY, COSMETIC, HOUSEHOLD, & MEDICATED AEROSOLS MUST VARY WITH CIRCUMSTANCES, PHYSICIAN IS ADVISED TO COUNSEL...PATIENT ON POTENTIAL DANGERS, PARTICULARLY FROM THEIR USE IN POORLY VENTILATED CONFINED AREAS. IT IS POSSIBLE THAT PATIENTS WITH CARDIAC OR RESPIRATORY DISORDERS MAY PROVE ESPECIALLY SUSCEPTIBLE. /FLUOROHYDROCARBONS/

BECAUSE OF DECREASED USE IN CONSUMER PRODUCTS, ABUSE HAS BEEN ELIMINATED.

For more Human Toxicity Excerpts (Complete) data for CHLOROTRIFLUOROMETHANE (7 total), please visit the HSDB record page.

Artificial Pollution SourcesChlorotrifluoromethane's production and use as a refrigerant or as an azeotrope with CHF3 for very low temperature applications(1) may lead to its release to the environment through various waste streams(SRC).
Environmental BiodegradationHighly chlorinated/fluorinated compounds are not expected to biodegrade rapidly(1).
Environmental Bioconcentration · 1 item

An estimated BCF value of 10 was calculated for chlorotrifluoromethane(SRC), using a measured log Kow of 1.65(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).

Regulatory information

Atmospheric Standards · 1 item

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Chlorotrifluoromethane is produced, as an intermediate or a final product, by process units covered under this subpart.

Safety data

ridadr
UN 1022
hazard_class
2.2