chempirical

Hexachloroacetone

C3Cl6OCAS 116-16-5264.73 g/mol

Open in Covalent MOL file
OClClClClClCl
Alkyl halideKetone

Properties

Molecular formula
C3Cl6O
Molar mass
264.73 g/mol
Exact mass
261.8080 Da
Density
1.444 g/mL (at 12 °C)
Melting point
−2 °C
Boiling point
202–204 °C
logP
3.30Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
116-16-5
SMILES
O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIKey
DOJXGHGHTWFZHK-UHFFFAOYSA-N
InChI
InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • 2-Propanone, 1,1,1,3,3,3-hexachloro-
  • 2-Propanone, hexachloro-
  • 1,1,1,3,3,3-Hexachloro-2-propanone
  • HCA
  • 1,1,1,3,3,3-Hexachloropropanone
  • Hexachloropropanone
  • Bis(trichloromethyl) ketone
  • Perchloroacetone
  • Hexachloro-2-propanone
  • NSC 6852

Work with Hexachloroacetone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1,1-Trichloro-3,3,3-trifluoro-2-propanone758-42-961 % similar Trichloroacetyl chloride76-02-844 % similar 1,3-Dichlorotetrafluoroacetone127-21-942 % similar Trichloroacetic anhydride4124-31-642 % similar Trichloroacetic acid76-03-942 % similar 1,1,3,3-Tetrachloro-1,3-difluoro-2-propanone79-51-642 % similar 1,1,1-Trichloroacetone918-00-342 % similar 1,1,1,3-Tetrachloroacetone16995-35-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia