10894

Hexachloro-2-propanone

Wacker Chemie AG, ≥99.0% (GC)

• Synonym(s): HCA, Hexachloroacetone
• 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

Properties

• Quality Level: 100
• 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

Description

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

Safety Information

• Pictograms: GHS06,GHS09
• Signal Word: Danger
• Hazard Statements: H302,H317,H331,H411
• Precautionary Statements: P261 - P273 - P280 - P301 + P312 - P302 + P352 - P304 + P340 + P311
• 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