3-Methoxybenzyl bromide

C8H9BrOCAS 874-98-6201.06 g/mol

Open in Covalent MOL file
OBr
Alkyl halideEther

Properties

Molecular formula
C8H9BrO
Molar mass
201.06 g/mol
Exact mass
199.9837 Da
logP
2.59Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 43 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
874-98-6
SMILES
COC1=CC=CC(=C1)CBr
InChIKey
ZKSOJQDNSNJIQW-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3

Weigh it out

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Work with 3-Methoxybenzyl 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-Dimethoxybenzyl bromide877-88-364 % similar 3-Methoxybenzylamine5071-96-561 % similar 3-Phenoxybenzyl bromide51632-16-761 % similar 3-Methoxybenzyl alcohol6971-51-361 % similar 3-Methoxybenzyl chloride824-98-661 % similar 3-(Difluoromethoxy)benzyl bromide72768-95-761 % similar 4-Methoxybenzyl bromide2746-25-059 % similar 1,3-Dimethoxybenzene151-10-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 2-Bromobenzeneethanol1074-16-4 1-(2-Bromophenyl)ethan-1-ol114446-55-8 (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8 (+)-1-(3-Bromophenyl)ethanol134615-24-0 4-Bromo-2-methylanisole14804-31-0 (4-Bromo-3-methylphenyl)methanol149104-89-2 (4-Bromo-2-methylphenyl)methanol17100-58-2

Elsewhere

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