1-(3,4-Dichlorophenyl)-1-propanone

C9H8Cl2OCAS 6582-42-9203.06 g/mol

Open in Covalent MOL file
OClCl
Aryl halideKetone

Properties

Molecular formula
C9H8Cl2O
Molar mass
203.06 g/mol
Exact mass
201.9952 Da
Boiling point
136–140 °C (at 18 Torr)
logP
3.59Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
6582-42-9
SMILES
CCC(=O)c1ccc(Cl)c(Cl)c1
InChIKey
FKGDMSJKLIQBQS-UHFFFAOYSA-N
InChI
InChI=1S/C9H8Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3

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Names and synonyms

3 names
  • 1-Propanone, 1-(3,4-dichlorophenyl)-
  • Propiophenone, 3′,4′-dichloro-
  • 3′,4′-Dichloropropiophenone

Work with 1-(3,4-Dichlorophenyl)-1-propanone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-1-(3,4-dichlorophenyl)ethanone42981-08-866 % similar 2-Bromo-1-(3,4-dichlorophenyl)ethanone2632-10-264 % similar 4′-Chloropropiophenone6285-05-859 % similar 3′-Chloropropiophenone34841-35-559 % similar 2-(3,4-Dichlorophenyl)-2-oxoethylamine hydrochloride41995-19-158 % similar 3,4-Dichlorobenzoylacetonitrile4640-68-058 % similar 3′,4′-Dichloroacetophenone2642-63-955 % similar 1-(3-Aminophenyl)-1-propanone1197-05-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2',4'-Dichloropropiophenone37885-41-9 3,4′-Dichloropropiophenone3946-29-0

Elsewhere

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