2-Bromo-1-(2-chlorophenyl)ethanone

C8H6BrClOCAS 5000-66-8233.49 g/mol

Open in Covalent MOL file
OBrCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H6BrClO
Molar mass
233.49 g/mol
Exact mass
231.9291 Da
Boiling point
97.5–98 °C (at 1 Torr)
logP
2.92Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
5000-66-8
SMILES
O=C(CBr)c1ccccc1Cl
InChIKey
WZWWEVCLPKAQTA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2

Weigh it out

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

Names and synonyms

10 names
  • Ethanone, 2-bromo-1-(2-chlorophenyl)-
  • Acetophenone, 2-bromo-2′-chloro-
  • 2-Bromo-2′-chloroacetophenone
  • o-Chlorophenacyl bromide
  • 2-Chlorophenacyl bromide
  • 2-Bromo-o-chloroacetophenone
  • 2-Bromo-1-(2′-chlorophenyl)ethanone
  • Bromomethyl 2-chlorophenyl ketone
  • 2-Bromo-1-(2-chlorophenyl)-1-ethanone
  • 2-Bromo-2'-chloroacetophenone

Work with 2-Bromo-1-(2-chlorophenyl)ethanone

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-Bromo-2',4'-dichloroacetophenone170894-53-867 % similar 2,4-Dichlorophenacyl bromide2631-72-367 % similar 2-Bromo-1-(2,5-dichlorophenyl)ethanone4571-25-967 % similar 2-Amino-1-(2-chlorophenyl)ethanone743357-99-563 % similar 2-Chloro-β-oxobenzenepropanenitrile40018-25-559 % similar 2-Bromo-2'-hydroxyacetophenone2491-36-358 % similar 2-Bromo-2'-fluoroacetophenone655-15-258 % similar 2-Bromo-1-(3,4-dichlorophenyl)ethanone2632-10-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromophenylacetyl chloride37859-24-8 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-2 1-(4-Bromophenyl)-2-chloroethanone4209-02-3 2′-Bromo-4-chloroacetophenone536-38-9 1-(2-Bromo-4-chlorophenyl)ethanone825-40-1 1-(2-Bromo-5-chlorophenyl)ethanone935-99-9

Elsewhere

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