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Merck

D55008

Sigma-Aldrich

Dichloroacetyl chloride

98%

Synonym(s):

α,α-Dichloroacetyl chloride, 2,2-Dichloroacetyl chloride, Dichloracetyl chloride, Dichloroacetic acid chloride, Dichloroethanoyl chloride

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About This Item

Linear Formula:
Cl2CHCOCl
CAS Number:
Molecular Weight:
147.39
Beilstein:
1209426
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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Quality Level

Assay

98%

form

liquid

refractive index

n20/D 1.46 (lit.)

bp

107-108 °C (lit.)

density

1.532 g/mL at 25 °C (lit.)

SMILES string

ClC(Cl)C(Cl)=O

InChI

1S/C2HCl3O/c3-1(4)2(5)6/h1H

InChI key

FBCCMZVIWNDFMO-UHFFFAOYSA-N

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1 of 4

This Item
416320191124432431
mol wt

average Mn ~80,000

mol wt

average Mn ~311,000, average Mw ~1,080,000

mol wt

average Mn ~80,000, average Mw ~216,000 by LS

mol wt

-

impurities

<2% benzene

impurities

<2% benzene

impurities

-

impurities

-

solubility

H2O: soluble (upon hydrolysis)

solubility

H2O: soluble (upon hydrolysis), organic solvents: soluble

solubility

-

solubility

solvents with solubility parameters between 7.7 and 9.4: soluble

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Acute 1 - Carc. 1B - Eye Dam. 1 - Skin Corr. 1A

Supplementary Hazards

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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A R Sellakumar et al.
Journal of the National Cancer Institute, 79(2), 285-289 (1987-08-01)
A series of earlier studies showed that inhalation exposures of rats to three water-reactive electrophilic compounds produced brisk yields of nasal cancer even when the animals were exposed for only 30 days (6 hr/day X 5 day/wk). In addition, carcinogenic
M F Khan et al.
Toxicology and applied pharmacology, 170(2), 88-92 (2001-02-13)
Trichloroethene (TCE) and one of its metabolites dichloroacetyl chloride (DCAC) are known to induce/accelerate autoimmune (AI) response in MRL+/+ mice as evident from anti-nuclear, anti-ssDNA, anti-cardiolipin, and DCAC-specific antibodies in the serum (Khan et al., Toxicol. Appl. Pharmacol. 134, 155-160
Rolf König et al.
Chemical research in toxicology, 21(3), 572-582 (2008-02-26)
Dichloroacetyl chloride (DCAC) is a reactive metabolite of trichloroethene (TCE). TCE and its metabolites have been implicated in the induction of organ-specific and systemic autoimmunity, in the acceleration of autoimmune responses, and in the development of liver toxicity and hepatocellular
Hsin-Hung Ou et al.
Journal of hazardous materials, 146(1-2), 302-308 (2007-01-24)
Batch photocatalytic degradation of 80+/-2.5 ppm V trichloroethylene (TCE) was conducted to investigate the effect of the oxygen and relative humidity (RH) on the formation of the dichloroacetyl chloride (DCAC) and phosgene. Based on the simultaneous ordinary differential equations (ODEs)
M F Khan et al.
Immunopharmacology and immunotoxicology, 19(2), 265-277 (1997-05-01)
Welders are exposed to dichloroacetyl chloride (DCAC) when trichloroethene (TCE) is used as a degreasing agent. Human exposure to TCE and tetrachloroethane can also lead to formation of DCAC in situ through metabolism. Due to its strong acylating property, it

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