2',4'-Dichloropropiophenone

C₉H₈Cl₂OCAS 37885-41-9203.06 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₈Cl₂O
Molar mass: 203.06 g/mol
Exact mass: 201.9952 Da
logP: 3.59Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed93.2% of notifiers

Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

37885-41-9

SMILES

CCC(=O)c1ccc(Cl)cc1Cl

InChIKey

FBMTWRZQBRHOPF-UHFFFAOYSA-N

InChI

InChI=1S/C9H8Cl2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names

1-(2,4-Dichlorophenyl)-1-propanone
1-Propanone, 1-(2,4-dichlorophenyl)-
2,4-Dichloropropiophenone

Work with 2',4'-Dichloropropiophenone

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

1-(2,4-Dichlorophenyl)-1-butanone66353-47-771 % similar 2,2′,4′-Trichloroacetophenone4252-78-268 % similar 1-(2,4-Dichlorophenyl)-1-pentanone61023-66-368 % similar 2-Bromo-2',4'-dichloroacetophenone170894-53-866 % similar 2,4-Dichlorophenacyl bromide2631-72-366 % similar 2-Amino-2',4'-dichloroacetophenone313553-17-266 % similar 2',4'-Dichloroacetophenone2234-16-457 % similar Ethyl 2,4-dichlorobenzoate56882-52-156 % similar

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

Same formula

3,4′-Dichloropropiophenone3946-29-0 1-(3,4-Dichlorophenyl)-1-propanone6582-42-9

Elsewhere

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