p-Bromobenzhydryl alcohol

C₁₃H₁₁BrOCAS 29334-16-5263.13 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₁₃H₁₁BrO
Molar mass: 263.13 g/mol
Exact mass: 261.9993 Da
Melting point: 65 °C
logP: 3.53Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

29334-16-5

SMILES

OC(c1ccccc1)c1ccc(Br)cc1

InChIKey

WTIWDBNPPSHSCB-UHFFFAOYSA-N

InChI

InChI=1S/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H

Weigh it out

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

Names and synonyms

13 names · show all

4-Bromo-α-phenylbenzenemethanol
Benzenemethanol, 4-bromo-α-phenyl-
Benzhydrol, 4-bromo-
Benzohydrol, 4-bromo-
4-Bromobenzhydrol
p-Bromobenzhydrol
α-(4-Bromophenyl)benzenemethanol
(4-Bromophenyl)phenylmethanol
4-(1-Hydroxybenzyl)bromobenzene
NSC 89817
(±)-(4-Bromophenyl)phenylmethanol
α-Phenyl-p-bromobenzyl alcohol
(p-Bromophenyl)-α-phenylmethanol

Work with p-Bromobenzhydryl alcohol

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

Diphenylmethanol91-01-068 % similar 4-Chlorobenzhydrol119-56-257 % similar 4-Methylbenzhydrol1517-63-157 % similar 4-Fluoro-α-phenylbenzenemethanol365-22-057 % similar 4-(Trifluoromethyl)benzhydrol395-23-352 % similar 4-Methoxybenzhydryl alcohol720-44-552 % similar 3-Chlorobenzhydrol63012-03-348 % similar (1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-148 % similar

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

Same formula

3-Phenoxybenzyl bromide51632-16-7 1-(Benzyloxy)-3-bromobenzene53087-13-1 1-Bromo-4-phenylmethoxybenzene6793-92-6

Elsewhere

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