1-(4-Bromophenyl)-3-chloro-1-propanone

C9H8BrClOCAS 31736-73-9247.52 g/mol

Open in Covalent MOL file
OClBr
Alkyl halideAryl halideKetone

Properties

Molecular formula
C9H8BrClO
Molar mass
247.52 g/mol
Exact mass
245.9447 Da
logP
3.26Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
31736-73-9
SMILES
O=C(CCCl)c1ccc(Br)cc1
InChIKey
SYWQQEVHZPPLNQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H8BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

9 names
  • 1-Propanone, 1-(4-bromophenyl)-3-chloro-
  • Propiophenone, 4′-bromo-3-chloro-
  • 4′-Bromo-3-chloropropiophenone
  • 4-Bromophenyl 2-chloroethyl ketone
  • NSC 36071
  • p-Bromo-3-chloropropiophenone
  • p-Bromophenyl β-chloroethyl ketone
  • 3-Chloro-1-(4-bromophenyl)propan-1-one
  • 4'-Bromo-3-chloropropiophenone

Work with 1-(4-Bromophenyl)-3-chloro-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

1-(4-Bromophenyl)-2-chloroethanone4209-02-367 % similar 3,4′-Dichloropropiophenone3946-29-065 % similar 3-Chloropropiophenone936-59-463 % similar 2-Chloro-4'-fluoropropiophenone347-93-363 % similar 1-(4-Bromophenyl)-1-butanone4981-64-063 % similar 4-Bromo-γ-oxobenzenebutanoic acid6340-79-059 % similar 4′-Bromovalerophenone7295-44-559 % similar 4-Bromophenacyl bromide99-73-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Alpha-Bromo-3-chloropropiophenone34911-51-8 2-Bromo-1-(4-chlorophenyl)-1-propanone877-37-2

Elsewhere

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