3-Bromo-4-hydroxybenzenemethanol

C7H7BrO2CAS 29922-56-3203.03 g/mol

Open in Covalent MOL file
HOOHBr
AlcoholAryl halidePhenol

Properties

Molecular formula
C7H7BrO2
Molar mass
203.03 g/mol
Exact mass
201.9629 Da
Melting point
127–129 °C
logP
1.65Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
29922-56-3
SMILES
OCc1ccc(O)c(Br)c1
InChIKey
HAFQFRJTRZBJJF-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrO2/c8-6-3-5(4-9)1-2-7(6)10/h1-3,9-10H,4H2

Weigh it out

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Names and synonyms

4 names
  • Benzenemethanol, 3-bromo-4-hydroxy-
  • Benzyl alcohol, 3-bromo-4-hydroxy-
  • 3-Bromo-4-hydroxybenzyl alcohol
  • 2-Bromo-4-hydroxymethylphenol

Work with 3-Bromo-4-hydroxybenzenemethanol

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

3,4-Dihydroxybenzyl alcohol3897-89-063 % similar 3-Bromo-4-fluorobenzenemethanol77771-03-058 % similar 3-Bromo-4-hydroxyphenylacetic acid38692-80-754 % similar (4-Bromo-3-methylphenyl)methanol149104-89-253 % similar (4-Bromo-3-fluorophenyl)methanol222978-01-053 % similar 2-Bromo-1,4-benzenediol583-69-752 % similar 2,4-Dibromophenol615-58-752 % similar Vanillyl alcohol498-00-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3-methoxyphenol102127-34-4 2-Bromo-4-methoxyphenol17332-11-5 5-Bromo-2-hydroxybenzyl alcohol2316-64-5 2-Bromo-5-(hydroxymethyl)phenol2737-19-1 5-Bromo-2-methoxyphenol37942-01-1 2-Bromo-5-methoxyphenol63604-94-4 4-Bromo-2-methoxyphenol7368-78-7

Elsewhere

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