2-Bromo-1-(4-hydroxyphenyl)ethanone

C8H7BrO2CAS 2491-38-5215.05 g/mol

Open in Covalent MOL file
OBrOH
Alkyl halideKetonePhenol

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
Melting point
130 °C
logP
1.97Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
2491-38-5
SMILES
O=C(CBr)c1ccc(O)cc1
InChIKey
LJYOFQHKEWTQRH-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2

Weigh it out

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Names and synonyms

14 names · show all
  • Ethanone, 2-bromo-1-(4-hydroxyphenyl)-
  • Acetophenone, 2-bromo-4′-hydroxy-
  • 2-Bromo-4′-hydroxyacetophenone
  • Busan 90
  • p-Hydroxyphenacyl bromide
  • 4′-Hydroxy-2-bromoacetophenone
  • 4-Hydroxyphenacyl bromide
  • α-Bromo-4′-hydroxyacetophenone
  • α-Bromo-p-hydroxyacetophenone
  • ω-Bromo-p-hydroxyacetophenone
  • 1-(4-Hydroxyphenyl)-2-bromoethanone
  • Busan 1130
  • 2-Bromo-1-(4-hydroxyphenyl)ethan-1-one
  • Butrol 1130

Work with 2-Bromo-1-(4-hydroxyphenyl)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

4-Bromophenacyl bromide99-73-068 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-767 % similar 4-(2-Bromo-acetyl)-benzoic acid20099-90-563 % similar Phenacyl bromide70-11-161 % similar 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-260 % similar 2′-Bromo-4-chloroacetophenone536-38-960 % similar 2-Bromo-4'-methylacetophenone619-41-060 % similar 2-Chloro-1-(4-hydroxyphenyl)ethanone6305-04-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-2'-hydroxyacetophenone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 5-Bromo-2-methoxybenzaldehyde25016-01-7

Elsewhere

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