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10894

Sigma-Aldrich

Hexachloro-2-propanone

produced by Wacker Chemie AG, Burghausen, Germany, ≥99.0% (GC)

Synonym(s):

HCA, Hexachloroacetone

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About This Item

Linear Formula:
CCl3COCCl3
CAS Number:
116-16-5
Molecular Weight:
264.75
Beilstein:
1707475
EC Number:
204-129-5
MDL number:
MFCD00000796
UNSPSC Code:
12352100
PubChem Substance ID:
57646830
NACRES:
NA.22

grade

produced by Wacker Chemie AG, Burghausen, Germany

Assay

≥99.0% (GC)

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

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

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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

Pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

Signal Word

Danger

Hazard Statements

H302,H317,H331,H411

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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Derek W Barnett et al.
Journal of labelled compounds & radiopharmaceuticals, 56(1), 6-11 (2013-11-29)
Chirally deuterated benzyl chlorides were prepared using novel, general hexachloroacetone/polymer-supported triphenylphosphine treatment of chirally deuterated benzyl alcohols. Doubly labeled protected tyrosine was obtained in 62% yield with 86% de at the α-carbon and 82% de at the β-carbon. Key in
Determination of hexachloroacetone in air.
E Kissa
Analytical chemistry, 55(8), 1222-1225 (1983-07-01)
H Zochlinski et al.
Mutation research, 89(2), 137-144 (1981-06-01)
Hexachloroacetone, CCl3--CO--CCl3, reverts the Ames strains TA98 and TA100 but not the non-plasmid strains TA1537, TA1535 and TA1538. In the absence of solvent, the number of revertant colonies is 5 times the spontaneous reversion rate for TA100 and 10 times
Konstantina Sargenti et al.
Liver international : official journal of the International Association for the Study of the Liver, 35(2), 391-400 (2014-07-22)
Population-based data on the occurrence of healthcare-associated (HCA) and hospital-acquired (HA) bacterial infections in cirrhosis, their predictors, and their impact on outcome are limited. All patients with incident cirrhosis in 2001-2010 residing in an area of 600,000 inhabitants were retrospectively
Baldur Föhlisch et al.
Molecules (Basel, Switzerland), 9(1), 1-10 (2007-11-17)
The enol phosphate 2,2-dichloro-1-(trichloromethyl)ethenyl diethyl phosphate (1), easily available by a Perkow reaction between hexachloroacetone and triethyl phosphite, reacts with sodium trifluoroethoxide/trifluoroethanol in the presence of cyclic 5-membered 1,3-dienes to furnish alpha,alpha,alpha',alpha'-tetrachloro-substituted[3.2.1]bicyclic ketones 2. A [4+3] cycloaddition of a tetrachloro-oxyallyl
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