1-Bromo-4-phenylmethoxybenzene

C₁₃H₁₁BrOCAS 6793-92-6263.13 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₃H₁₁BrO
Molar mass: 263.13 g/mol
Exact mass: 261.9993 Da
Melting point: 64–65 °C
Boiling point: 164–186 °C (at 7 Torr)
logP: 4.03Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation15.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 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

6793-92-6

SMILES

Brc1ccc(OCc2ccccc2)cc1

InChIKey

OUQSGILAXUXMGI-UHFFFAOYSA-N

InChI

InChI=1S/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2

Weigh it out

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

Names and synonyms

14 names · show all

1-(Benzyloxy)-4-bromobenzene
Benzene, 1-bromo-4-(phenylmethoxy)-
Ether, benzyl p-bromophenyl
1-Bromo-4-(phenylmethoxy)benzene
p-Bromophenyl benzyl ether
4-(Benzyloxy)bromobenzene
Benzyl p-bromophenyl ether
Benzyl 4-bromophenyl ether
p-(Benzyloxy)bromobenzene
p-(Benzyloxy)phenyl bromide
1-Bromo-4-(benzyloxy)benzene
4-Benzyloxy-1-bromobenzene
1-Bromo-4-[(phenylmethyl)oxy]benzene
4-Bromophenyl benzyl ether

Work with 1-Bromo-4-phenylmethoxybenzene

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

Hydroquinone dibenzyl ether621-91-075 % similar Benzyl phenyl ether946-80-568 % similar Monobenzone103-16-266 % similar 4-Benzyloxyaniline6373-46-262 % similar 4-Benzyloxyiodobenzene19578-68-860 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-560 % similar 4-Benzyloxyanisole6630-18-860 % similar 4-Benzyloxychlorobenzene7700-27-860 % similar

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

Same formula

p-Bromobenzhydryl alcohol29334-16-5 3-Phenoxybenzyl bromide51632-16-7 1-(Benzyloxy)-3-bromobenzene53087-13-1

Elsewhere

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