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Trichlorofluoromethane

Properties, data and information sources.

 

Contents

Trichlorofluoromethane is a chemical compound from the group of chlorofluorocarbons.

 

Names and Identifiers

Name
Trichlorofluoromethane
Formula
CCl3F
CFCl3
Molar mass
137.359 (g/mol)
CAS registry number
75-69-4
EC number EINECS
200-892-3
InChI Key
CYRMSUTZVYGINF-UHFFFAOYSA-N

Systematic name
Trichloro(fluoro)methane

Other names, synonyms
Fluorochloroform; Fluorotrichloromethane; Trichloro-fluoro-methane

Trade names; preparations
Freon 11; F11; R-11; CFC-11; Arcton 9; Freon HE; Freon MF; Eskimon 11; Daiflon 11; Genetron 11; FCKW-11

 

Chemical formulas

Molecular formula and structural formula of Trichlorofluoromethane:

 

Trichlorofluoromethane

 

CCl3F or CFCl3

Mr = 137.3594 g/mol

Trichloro(fluoro)methane
SMILES: C(F)(Cl)(Cl)Cl

 

Data and Properties

Trichlorofluoromethane is a stable, non-flammable, water-insoluble, colorless, odorless in low concentrations, otherwise slightly ether-like and sweet-smelling, liquid substance that boils at room temperature between 23 and 24 °C and changes into the gaseous state.

solubility:
+ Soluble in alcohol, ether, organic solvents.
- Practically insoluble in water (1.1 g/L at 20 °C).
  partition coefficient logP = 2.53.
melting point
-110.48 °C
boiling point
23.77 °C
density
1.479 g cm-3 at 18 °C
vapor pressure
89 kPa at 20 °C
131 kPa at 30 °C
surface tension
18 dyn/cm at 18°C
refractive index
nD = 1.3865 at 18.5 °C
dipole moment
0.45 D

 

Spectroscopic data:

SPLASH (mass spectra)
splash10-0udi-3900000000-60273cc56dd64fe65e4d
MoNA Mass Bank of North America (mass spectrum)
CYRMSUTZVYGINF-UHFFFAOYSA-N
SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
JjLppBcrsZ3
NIST IR-Spektrum
Trichlorofluoromethane

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Trichlorofluoromethane - CCl3F - calculated based on molecular mass.

Symbol
Element E
Number x
of atoms Ex
Data of the element
and isotopes *
Percentages
of isotopes
Percentage of
Ex in formula mass
C
Carbon
1ΣAr = 12.011 u
12C: 12 u [98,94 %]
14C: 14.00324 u [<< 1 %]
13C: 13.00335 u [1,06 %]
 
12C: 8.65153 %
14C: trace
13C: 0.09269 %
8.7442 %Cl
Chlorine
3 Ar = 35.45 u
ΣAr = 106.35 u
35Cl: 34.96885 u [75,80 %]
36Cl: 35.96831 u [<< 1 %]
37Cl: 36.9659 u [24,2 %]
 
35Cl: 58.68786 %
36Cl: trace
37Cl: 18.73676 %
77.4246 %F
Fluorine
1ΣAr = 18.998403163 u
19F: 18.9984 u [100 %]
 
19F: 13.83116 %
13.8312 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 137.359403163 grams per mole.

The amount of substance in one kilogram of the substance is n = 7.28 mol.

The amount of substance in one gram of the substance is n = 0.007 mol.

Monoisotopic mass: 135.904961263 Da - related to 12C35Cl319F.

 

Production

The main commercial process for producing trichlorofluoromethane is the replacement of a chlorine atom in carbon tetrachloride with a fluorine atom using hydrogen fluoride (halogen exchange). The traditional liquid phase process uses antimony pentafluoride or a mixture of Antimony trifluoride and chlorine as catalysts; by-product include dichlorodifluoromethane. The starting substance CCl4 is also present in the crude product.

Continuous vapor phase processes using gaseous hydrogen fluoride in the presence of heterogeneous chromium, iron or fluorinated alumina catalysts are also widely used. The extent of chlorine exchange can be controlled by varying the HF concentration, contact time or reaction temperature.

 

Use

Trichlorofluoromethane was the first widely used refrigerant until the 1990s. Due to its high boiling point (compared to most refrigerants), it can be used in systems with low operating pressure, making the mechanical design of such systems less demanding than that of the high-pressure refrigerants R-12 or R-22. The chemical has also been used as a blowing agent for polyurethane foam (construction industry). As an environmental chemical, it is assigned an ozone depletion potential of 1.0.

The production and emissions of ozone-depleting substances such as trichlorofluoromethane (CFC-11) have steadily declined since the mid-1980s in response to the Montreal Protocol - although there was an increase between 2013 and 2017, with much of the unreported release attributed to eastern China [cf. Sunyoung Park et al. 2021].

Other areas of application (mostly no longer in use today): 19F-NMR spectroscopy; solvents; refrigerants, propellants in fire extinguishers and other aerosols, electrical insulation, extinguishing of electrical arcs, dielectric fluid in bubble chambers and in wind tunnels, solvents in sulfonation reactions, dry cleaning, etc.

 

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

Signal word: Warning

GHS hazard statements (H phrases):


H312
Harmful in contact with skin

H420
Harms public health and the environment by destroying ozone in the upper atmosphere

Labeling in the EU: See ECHA Substance Infocard 100.000.812.

For toxicology and occupational safety when handling Trichlorofluoromethane as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 030930.

International Chemical Safety Card ICSC (SDS, MSDS): See ICSC: 0047.

 

External Sources

PubChem:ID 6389ChemSpider:ID 6149UNII of the FDA (USA):Unique Ingredient Identifier 990TYB331REPA CompTox Chemicals Dashboard:DTXSID5021384NCI Thesaurus:C76755 (active ingredient description)Other CAS RN:62185-70-0; 79620-41-0; 83589-40-6; 91315-61-6 (also used, outdated or deleted registration numbers)

 

Manufacturers and Sources of Supply

Trichlorofluoromethane as a commercial product from internationally active suppliers and search for analogues see: ZINC000008214698.

The table below lists producers and suppliers of Trichlorofluoromethane as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Trichlorofluoromethane.

[1] - Martin K. Vollmer, Jens Mühle, Stephan Henne et al.:
Unexpected nascent atmospheric emissions of three ozone-depleting hydrochlorofluorocarbons.
In: Proceedings of the National Academy of Sciences, (2021), DOI 10.1073/pnas.2010914118.

[2] - Sunyoung Park, Luke M. Western, Takuya Saito et al.:
A decline in emissions of CFC-11 and related chemicals from eastern China.
In: Nature, (2021), DOI 10.1038/s41586-021-03277-w.

[3] - Stephen A. Montzka, Geoffrey S. Dutton, Robert W. Portmann et al.:
A decline in global CFC-11 emissions during 2018−2019.
In: Nature, (2021), DOI 10.1038/s41586-021-03260-5.

 


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Last update: 2024-10-20


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