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Carbon tetrachloride

Properties, data and information sources.

 

Contents

Carbon tetrachloride is an organic chemical compound from the group of chlorocarbons, which is often also called tetrachloromethane. The molecule of the substance is derived from methane, in which all four H atoms are replaced by chlorine atoms.

In the carbon tetrachloride molecule, the four chlorine atoms are positioned symmetrically at the corners of a tetrahedron and are connected to the central carbon via covalent bonds; due to this symmetrical geometry, CCl4 is nonpolar. The C-Cl bond length is 175 pm and the Cl-C-Cl angle is 109.5 °.

 

Names and Identifiers

Name
Carbon tetrachloride
Formula
CCl4
Molar mass
153.811 (g/mol)
CAS registry number
56-23-5
EC number EINECS
200-262-8
InChI Key
VZGDMQKNWNREIO-UHFFFAOYSA-N

Other names, synonyms
Tetrachloromethane; Benziform; Benzinoform; Carbon chloride; Methane tetrachloride

Trade names; preparations
R-10; Carbon tet; Halon-104; Refrigerant-10; Freon-10; Tetrasol; Tetraform; TCM

 

Chemical formulas

Molecular formula and structural formula of Carbon tetrachloride:

 

Carbon tetrachloride

 

CCl4

Mr = 153.811 g/mol
SMILES: C(Cl)(Cl)(Cl)Cl

 

Data and Properties

In its pure state, carbon tetrachloride is a clear, colorless, light-refracting, slightly volatile, unpleasantly sweet-smelling, poisonous, non-flammable even at temperatures below 982 °C, water-insoluble, stable liquid.

solubility:
+ Miscible with alcohol, benzene, chloroform, ethers, petroleum ether, oils, carbon disulfide.
- Practically insoluble in water (0.8461 mg/L; 0.06 percent by mass, each at 20 °C).
  partition coefficient logPOW = 2.83 at 20 °C.
melting point
-22.92 °C
boiling point
76.72 °C
flash point
982 °C
density
1.5940 g cm-3 at 20 °C

vapor pressure
12.046 kPa at 19.9 °C
viscosity
0.9578 mPa s at 21 °C
0.901 mPa s at 25 °C
0.7928 mPa s at 35 °C
0.4056 mPa s at 99 °C
surface tension
28.0 dyn/cm at 10 °C
26.8 dyn/cm at 20 °C
22.2 dyn/cm at 75 °C
refractive index
nD = 1.4601 at 20 °C
standard enthalpy of formation
-139.3 kJ/mol at 25 °C
standard entropie
0.21442 J/(mol K) at 25 °C
Gibbs free energy
-686 kJ/mol
heat capacity
10.88 kJ/(mol K)
dipole moment
0 D
permittivity
εr = 2.2379 at 20 °C
(dielectric constant)
crystal structure:
Solid tetrachloromethane has two polymorphic forms (modifications): crystalline tetrachloromethane II below -47.5 °C and crystalline tetrachloromethane I above -47.5 °C with a monoclinic crystal structure of the space group C2/c and the lattice constants a = 203, b = 116, and c = 199 nm, angle β = 111 °.

 

Spectroscopic data:

SPLASH (mass spectra)
splash10-014i-3900000000-15e3b1fb84a75b2a20ee
MoNA Mass Bank of North America (mass spectrum)
VZGDMQKNWNREIO-UHFFFAOYSA-N
SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
5mnffwb11Vh
NIST IR-Spektrum
Carbon tetrachloride
Human Metabolome Database (GC-MS, LC-MS/MS spectra, NMR)
HMDB0031330

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Carbon tetrachloride - CCl4 - 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 %]
13C: 13.00335 u [1,06 %]
14C: 14.00324 u [<< 1 %]
 
12C: 7.72616 %
13C: 0.08277 %
14C: trace
7.8089 %Cl
Chlorine
4 Ar = 35.45 u
ΣAr = 141.8 u
35Cl: 34.96885 u [75,80 %]
36Cl: 35.96831 u [<< 1 %]
37Cl: 36.9659 u [24,2 %]
 
35Cl: 69.88083 %
36Cl: trace
37Cl: 22.31024 %
92.1911 %

*) 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 = 153.811 grams per mole.

The amount of substance in one kilogram of the substance is n = 6.501 mol.

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

Monoisotopic mass: 151.87541076 Da - related to 12C35Cl4.

 

Production

Carbon tetrachloride was first synthesized in 1839 by the French chemist Henri Victor Regnault by reacting chloroform with chlorine. Today, this chemical, which does not occur in nature, is mainly produced from methane:

CH4 + 4 Cl2 → CCl4 + 4 HCl.

The substance is also often a by-product of other chlorination reactions, for example in the syntheses of dichloromethane and chloroform. Higher chlorinated hydrocarbons also undergo chlorolysis:

C2Cl6 + Cl2 → 2 CCl4.

Before the 1950s, carbon tetrachloride was produced by chlorinating carbon disulfide at 105 to 130 °C:

CS2 + 3 Cl2 → CCl4 + S2Cl2.

Carbon tetrachloride production has declined sharply since the 1980s due to environmental concerns and reduced demand for CFCs derived from carbon tetrachloride. In 1992, production in the United States, Europe, and Japan combined was estimated at 720,000 tonnes.

 

Use

- Solvent for oils and fats.
- Formerly used agent in dry cleaning.
- Agent for thermodynamic heat pump or refrigeration circuits.
- Refrigerant in air conditioning systems, freezers and refrigerators.
- Formerly used as a fumigant in agriculture.
- Formerly used as an active ingredient against nematodes.
- Formerly used as an extinguishing agent in fire extinguishers.

There is a special application for stamp collectors in philately: In order to identify a watermark on a stamp and thus check its authenticity without damaging it, a small amount of carbon tetrachloride was put on the back and the stamp was placed on a black glass or in an obsidian bowl. The watermark - if present - was then clearly visible.

 

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: Danger

GHS hazard statements (H phrases):


H301
Toxic if swallowed

H311
Toxic in contact with skin

H331
Toxic if inhaled

H351
Suspected of causing cancer

H372
Causes damage to organs through prolonged or repeated exposure

H412
Harmful to aquatic life with long lasting effects

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

Carbon tetrachloride is suspected of being carcinogenic (C).


Labeling in the EU: See ECHA Substance Infocard 100.000.239.

WHO IARC group 2B: Possibly carcinogenic to humans! See there under monograph 20, Sup 7, 71, (1999).

For toxicology and occupational safety when handling Carbon tetrachloride as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 001480.

 

External Sources

PubChem:ID 5943ChemSpider:ID 5730Kegg database DBGET:ID C07561UNII of the FDA (USA):Unique Ingredient Identifier CL2T97X0V0EPA CompTox Chemicals Dashboard:DTXSID8020250

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Carbon tetrachloride 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: Carbon_tetrachloride.

 


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