1,1,1,3-Tetrachloroacetone

C₃H₂Cl₄OCAS 16995-35-0195.85 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
Melting point: 65 °C
Boiling point: 183 °C
logP: 2.16Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

16995-35-0

SMILES

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

InChIKey

MSZQBKOLHPDFFD-UHFFFAOYSA-N

InChI

InChI=1S/C3H2Cl4O/c4-1-2(8)3(5,6)7/h1H2

Weigh it out

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

Names and synonyms

2 names

2-Propanone, 1,1,1,3-tetrachloro-
1,1,1,3-Tetrachloro-2-propanone

Work with 1,1,1,3-Tetrachloroacetone

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

2-Chloro-1-(1-chlorocyclopropyl)ethanone120983-72-457 % similar 1-Chloropinacolone13547-70-155 % similar Chloroacetyl chloride79-04-941 % similar Hexachloroacetone116-16-538 % similar Trichloroacetyl chloride76-02-835 % similar Trichloroacetic anhydride4124-31-633 % similar Chloroacetic anhydride541-88-833 % similar Trichloroacetic acid76-03-933 % similar

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

Same formula

1,1,3,3-Tetrachloropropanone632-21-3

Elsewhere

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