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185442

Sigma-Aldrich

Hexachloroethane

99%

Synonym(s):

Perchloroethane

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About This Item

Linear Formula:
Cl3CCCl3
CAS Number:
67-72-1
Molecular Weight:
236.74
Beilstein/REAXYS Number:
1740341
EC Number:
200-666-4
MDL number:
MFCD00000799
UNSPSC Code:
12352100
eCl@ss:
39050109
PubChem Substance ID:
24851139
NACRES:
NA.22

vapor density

8.16 (vs air)

Quality Level

200

vapor pressure

0.4 mmHg ( 20 °C)

assay

99%

form

solid

mp

183-185 °C (dec.) (lit.)

solubility

alcohol: soluble
benzene: soluble
chloroform: soluble
diethyl ether: soluble
oil: soluble
water: insoluble

density

2.091 g/mL at 25 °C (lit.)

SMILES string

ClC(Cl)(Cl)C(Cl)(Cl)Cl

InChI

1S/C2Cl6/c3-1(4,5)2(6,7)8

InChI key

VHHHONWQHHHLTI-UHFFFAOYSA-N

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General description

Effect of hydrogen peroxide concentrations on the degradation of hexachloroethane in the absence and the presence of tetrachloroethene by Fenton′s reagent has been investigated.

Application

Hexachloroethane was used as catalyst in preparation of chlorosilanes from hydrosilanes. It was used to investigate the transformation of hexachloroethane in natural waters. It was used as reagent during polycondensation reaction of p-aminobenzoic acid.

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Warning

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2 - Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis of Poly (p-benzamide) with Triphenylphosphine and Hexachloroethane Reagents-Reaction Conditions.
Wu G-C, et al.
Polymer Journal, 14(7), 571-574 (1982)
Veerachai Pongkittiphan et al.
Tetrahedron letters, 50(36), 5080-5082 (2010-04-03)
A new and efficient chlorination protocol is presented for the preparation of chlorosilanes from hydrosilanes. A variety of chlorinating agents in combination with palladium(II) chloride as the catalyst are examined. Among them, hexachloroethane is found to be the best choice
Transformation of hexachloroethane in a sulfidic natural water.
Miller PL, et al.
Environmental Science & Technology, 32(9), 1269-1275 (1998)
E V Patterson et al.
Journal of the American Chemical Society, 123(9), 2025-2031 (2001-07-18)
Ab initio and density functional levels of electronic structure theory are applied to characterize alternative mechanisms for the reductive dechlorination of hexachloroethane (HCA) to perchloroethylene (PCE). Aqueous solvation effects are included using the SM5.42R continuum solvation model. After correction for
M E Walsh et al.
European journal of biochemistry, 267(18), 5815-5820 (2000-09-06)
CYP101 (cytochrome P450cam) catalyses the oxidation of camphor but has also been shown to catalyse the reductive dehalogenation of hexachloroethane and pentachloroethane. This reaction has potential applications in the biodegradation of these environmental contaminants. The hexachloroethane dehalogenation activity of CYP101
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