1,1,1-Trichloroacetone

C₃H₃Cl₃OCAS 918-00-3161.41 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₃H₃Cl₃O
Molar mass: 161.41 g/mol
Exact mass: 159.9249 Da
Density: 1.4389 g/mL (at 17.1 °C)
Boiling point: 149 °C
logP: 1.95Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

918-00-3

SMILES

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

InChIKey

SMZHKGXSEAGRTI-UHFFFAOYSA-N

InChI

InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3

Weigh it out

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

Names and synonyms

6 names

2-Propanone, 1,1,1-trichloro-
1,1,1-Trichloro-2-propanone
α,α,α-Trichloroacetone
1,1,1-Trichloropropanone
Trichloromethyl methyl ketone
NSC 2645

Work with 1,1,1-Trichloroacetone

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

Trifluoroacetone421-50-143 % similar Hexachloroacetone116-16-542 % similar 3-Hydroxy-3-methyl-2-butanone115-22-039 % similar 1-(1-Methylcyclopropyl)ethanone1567-75-539 % similar Trichloroacetyl chloride76-02-838 % similar Methyl trichloroacetate598-99-238 % similar Trichloroacetic anhydride4124-31-636 % similar Trichloroacetic acid76-03-936 % similar

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

Same formula

1,1,3-Trichloroacetone921-03-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia