chempirical

4-Methoxybenzyl bromide

C8H9BrOCAS 2746-25-0201.06 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
Density
1.395 g/mL (at 19 °C)
Melting point
240 °C
Boiling point
129 °C (at 6 Torr)
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 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
2746-25-0
SMILES
COc1ccc(CBr)cc1
InChIKey
GIGRWGTZFONRKA-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3

Weigh it out

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Names and synonyms

10 names
  • Benzene, 1-(bromomethyl)-4-methoxy-
  • Anisole, p-(bromomethyl)-
  • 1-(Bromomethyl)-4-methoxybenzene
  • p-Methoxybenzyl bromide
  • (4-Methoxyphenyl)methyl bromide
  • p-(Bromomethyl)anisole
  • 4-(Bromomethyl)anisole
  • 4-Methoxy-1-(bromomethyl)benzene
  • 1,4-Methoxybromomethylbenzene
  • (4-Bromomethylphenoxy)methane

Work with 4-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

1,1′-Oxybis[4-(bromomethyl)benzene]4542-75-063 % similar 3,5-Dimethoxybenzyl bromide877-88-362 % similar 3-Methoxybenzyl bromide874-98-659 % similar 1-Ethyl-4-methoxybenzene1515-95-358 % similar 1,4-Dimethoxybenzene150-78-757 % similar 1,4-Bis(bromomethyl)benzene623-24-557 % similar 1-Bromo-5-(4-methoxyphenyl)pentane14469-84-257 % similar 4-Propylanisole104-45-056 % 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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