1,1,3,3-Tetrachloropropanone

C₃H₂Cl₄OCAS 632-21-3195.85 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₃H₂Cl₄O
Molar mass: 195.85 g/mol
Exact mass: 193.8860 Da
Boiling point: 183 °C
logP: 2.16Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

632-21-3

SMILES

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

InChIKey

DJWVKJAGMVZYFP-UHFFFAOYSA-N

InChI

InChI=1S/C3H2Cl4O/c4-2(5)1(8)3(6)7/h2-3H

Weigh it out

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

Names and synonyms

4 names

2-Propanone, 1,1,3,3-tetrachloro-
1,1,3,3-Tetrachloro-2-propanone
1,1,3,3-Tetrachloroacetone
NSC 137844

Work with 1,1,3,3-Tetrachloropropanone

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

Dichloroacetyl chloride79-36-744 % similar 1,1-Dichloroacetone513-88-242 % similar 1,1,3-Trichloroacetone921-03-938 % similar Methyl dichloroacetate116-54-136 % similar Sodium dichloroacetate2156-56-136 % similar 1,1-Dichloro-3,3-dimethyl-2-butanone22591-21-536 % similar Dicyclopropyl ketone1121-37-533 % similar Diisopropyl ketone565-80-033 % similar

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

Same formula

1,1,1,3-Tetrachloroacetone16995-35-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook