3-Benzyloxybenzyl bromide

C₁₄H₁₃BrOCAS 1700-31-8277.16 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₄H₁₃BrO
Molar mass: 277.16 g/mol
Exact mass: 276.0150 Da
Melting point: 54–55 °C
logP: 4.16Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

1700-31-8

SMILES

BrCc1cccc(OCc2ccccc2)c1

InChIKey

ITJWNXBZSFIJTP-UHFFFAOYSA-N

InChI

InChI=1S/C14H13BrO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,10-11H2

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-(bromomethyl)-3-(phenylmethoxy)-
Ether, benzyl α-bromo-m-tolyl
1-(Bromomethyl)-3-(phenylmethoxy)benzene
1-Benzyloxy-3-bromomethylbenzene

Work with 3-Benzyloxybenzyl bromide

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

3,5-Bis(benzyloxy)benzyl bromide24131-32-677 % similar 1,3-Dibenzyloxybenzene3769-42-471 % similar 3-Phenoxybenzyl bromide51632-16-768 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-764 % similar 1-(Benzyloxy)-3-bromobenzene53087-13-164 % similar Benzyl phenyl ether946-80-561 % similar 3-Benzyloxyphenylacetonitrile20967-96-860 % similar 3-Iodobenzyloxybenzene107623-21-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Benzyloxy-2-bromotoluene17671-75-9

Elsewhere

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