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Merck

10894

Hexachloro-2-propanone

Wacker Chemie AG, ≥99.0% (GC)

Synonym(s):

HCA, Hexachloroacetone

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About This Item

Linear Formula:
CCl3COCCl3
CAS Number:
Molecular Weight:
264.75
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-129-5
Beilstein/REAXYS Number:
1707475
MDL number:
Assay:
≥99.0% (GC)
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Quality Segment

assay

≥99.0% (GC)

manufacturer/tradename

Wacker Chemie AG

refractive index

n20/D 1.511 (lit.)

bp

66-70 °C/6 mmHg (lit.)

mp

−6-−2 °C (lit.)

density

1.743 g/mL at 25 °C (lit.)

application(s)

agriculture
environmental

functional group

chloro, ketone

SMILES string

ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl

InChI

1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9

InChI key

DOJXGHGHTWFZHK-UHFFFAOYSA-N

General description

Hexachloro-2-propanone is a colorless liquid. It is present in herbicide Bromacil formulation. Hexachloro-2-propanone is precursor for the generation and cycloaddition of oxyallyl intermediates. It reverts the Ames strains TA98 and TA100 but not the non-plasmid strains TA1537, TA1535 and TA1538.

Application

Hexachloro-2-propanone (hexachloroacetone) was used in the synthesis of chirally deuterated benzyl chlorides and enol phosphate 2,2-dichloro-1-(trichloromethyl)ethenyl diethyl phosphate. It was also used in obtaining efficient amino acid activation by exploiting the rapid formation of acid chlorides under low temperature and acid/base free conditions.

Other Notes

prices for bulk quantities on request


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Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Skin Sens. 1

Storage Class

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

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter



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