5-Benzyloxy-2-bromotoluene

C₁₄H₁₃BrOCAS 17671-75-9277.16 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₄H₁₃BrO
Molar mass: 277.16 g/mol
Exact mass: 276.0150 Da
logP: 4.34Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17671-75-9

SMILES

Cc1cc(OCc2ccccc2)ccc1Br

InChIKey

KOLLVAZFQFRSHI-UHFFFAOYSA-N

InChI

InChI=1S/C14H13BrO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3

Weigh it out

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

Names and synonyms

7 names

4-Benzyloxy-1-bromo-2-methylbenzene
Benzene, 1-bromo-2-methyl-4-(phenylmethoxy)-
Ether, benzyl 4-bromo-m-tolyl
1-Bromo-2-methyl-4-(phenylmethoxy)benzene
4-Bromo-3-methylphenyl benzyl ether
Benzyl 4-bromo-3-methylphenyl ether
4-Bromo-3-methyl-1-(benzyloxy)benzene

Work with 5-Benzyloxy-2-bromotoluene

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

2-Methyl 4-benzyloxybenzaldehyde101093-56-559 % similar 4-Benzyloxy-2-methylphenylboronic acid847560-49-059 % similar Hydroquinone dibenzyl ether621-91-053 % similar 1,3-Dibenzyloxybenzene3769-42-453 % similar 4-Bromo-3-methylanisole27060-75-953 % similar 1-(Benzyloxy)-4-bromobenzene6793-92-653 % similar 1-Benzyloxy-3-bromobenzene53087-13-153 % similar Benzyl 2-naphthyl ether613-62-751 % similar

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

Same formula

3-Benzyloxybenzyl bromide1700-31-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook