chempirical

1-(1,1'-Biphenyl)-4-yl-2-bromoethanone

C14H11BrOCAS 135-73-9275.15 g/mol

Open in Covalent MOL file
OBr
Alkyl halideKetone

Properties

Molecular formula
C14H11BrO
Molar mass
275.15 g/mol
Exact mass
273.9993 Da
Melting point
126–127 °C
logP
3.93Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 46 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
135-73-9
SMILES
O=C(CBr)c1ccc(-c2ccccc2)cc1
InChIKey
KGHGZRVXCKCJGX-UHFFFAOYSA-N
InChI
InChI=1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2

Weigh it out

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

Names and synonyms

24 names · show all
  • 1-[1,1′-Biphenyl]-4-yl-2-bromoethanone
  • Ethanone, 1-[1,1′-biphenyl]-4-yl-2-bromo-
  • Acetophenone, 2-bromo-4′-phenyl-
  • 2-Bromo-4′-phenylacetophenone
  • p-Phenylphenacyl bromide
  • α-Bromo-p-phenylacetophenone
  • ω-Bromo-4-phenylacetophenone
  • Bromomethyl p-biphenylyl ketone
  • 4-Phenylphenacyl bromide
  • p-(Bromoacetyl)biphenyl
  • 4-(Bromoacetyl)biphenyl
  • Bromomethyl 4-phenylphenyl ketone
  • 1-(2-Bromo-1-oxoethyl)-4-phenylbenzene
  • α-Bromo-4-phenylacetophenone
  • 4-Phenyl-α-bromoacetophenone
  • NSC 37117
  • 1-Biphenyl-4-yl-2-bromoethanone
  • 4-Phenyl-2′-bromoacetophenone
  • 2-Bromo(1-biphenyl-4-yl)ethanone
  • 2-Bromo-1-(4-phenylphenyl)ethanone
  • 4-Bromoacetyl-1,1′-biphenyl
  • 4-(2-Bromoacetyl)biphenyl
  • 1-(1,1′-Biphenyl-4-yl)-2-bromoethan-1-one
  • 2-Bromo-1-(4-phenylphenyl)ethan-1-one

Work with 1-(1,1'-Biphenyl)-4-yl-2-bromoethanone

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

1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-784 % similar Phenacyl bromide70-11-177 % similar 1-[1,1′-Biphenyl]-4-yl-1-propanone37940-57-161 % similar 4-Phenylphenacyl chloride635-84-761 % similar 4-Bromophenacyl bromide99-73-060 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-558 % similar 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-258 % similar 2′-Bromo-4-chloroacetophenone536-38-958 % similar

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

Same formula

2-Bromo-1,2-diphenylethanone1484-50-0 1-(4-Bromophenyl)-2-phenylethanone2001-29-8 3-Benzoylbenzyl bromide22071-24-5 4-(Bromomethyl)benzophenone32752-54-8 1-(4′-Bromo[1,1′-biphenyl]-4-yl)ethanone5731-01-1

Elsewhere

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