4-Bromo-4'-hydroxybiphenyl

C12H9BrOCAS 29558-77-8249.11 g/mol

Open in Covalent MOL file
HOBr
Aryl halidePhenol

Properties

Molecular formula
C12H9BrO
Molar mass
249.11 g/mol
Exact mass
247.9837 Da
Melting point
164–166 °C
logP
3.82Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
29558-77-8
SMILES
Oc1ccc(-c2ccc(Br)cc2)cc1
InChIKey
ARUBXNBYMCVENE-UHFFFAOYSA-N
InChI
InChI=1S/C12H9BrO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H

Weigh it out

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Names and synonyms

14 names · show all
  • 4-Bromo-4′-hydroxybiphenyl
  • 4-Hydroxy-4′-bromobiphenyl
  • 4-(4-Bromophenyl)phenol
  • [1,1′-Biphenyl]-4-ol, 4′-bromo-
  • 4-Biphenylol, 4′-bromo-
  • Phenol, p-(p-bromophenyl)-
  • 4′-Bromo[1,1′-biphenyl]-4-ol
  • 4′-Bromo-4-biphenylol
  • 4-(4′-Bromophenyl)phenol
  • NSC 130468
  • NSC 17284
  • 4-(4-Hydroxyphenyl)bromobenzene
  • 4′-Bromo-4-hydroxybiphenyl
  • 4-Bromo-4′-hydroxy-1,1′-biphenyl

Work with 4-Bromo-4'-hydroxybiphenyl

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-Bromophenol106-41-282 % similar 4,4''-Dibromo-P-terphenyl17788-94-271 % similar 4,4′-Dibromobiphenyl92-86-471 % similar 4,4′-Dihydroxybiphenyl92-88-671 % similar 1,3,5-Tris(4-bromophenyl)benzene7511-49-160 % similar 4-Bromo-P-terphenyl1762-84-157 % similar 4-Bromobiphenyl92-66-057 % similar 4-Phenylphenol92-69-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromodiphenyl ether101-55-3 2-(Bromoacetyl)naphthalene613-54-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook