3-Bromoanisole

C7H7BrOCAS 2398-37-0187.04 g/mol

Open in Covalent MOL file
OBr
Aryl halideEther

Properties

Molecular formula
C7H7BrO
Molar mass
187.04 g/mol
Exact mass
185.9680 Da
Density
1.49 g/mL (at 25 °C)
Melting point
106.7 °C
Boiling point
211 °C
logP
2.46Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2398-37-0
SMILES
COc1cccc(Br)c1
InChIKey
PLDWAJLZAAHOGG-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzene, 1-bromo-3-methoxy-
  • Anisole, m-bromo-
  • 1-Bromo-3-methoxybenzene
  • m-Bromophenyl methyl ether
  • 3-Methoxy-1-bromobenzene
  • m-Bromoanisole
  • 3-Methoxybromobenzene
  • m-Bromomethoxybenzene
  • m-Methoxybromobenzene
  • m-Anisyl bromide
  • 3-Methoxyphenyl bromide
  • m-Methoxyphenyl bromide
  • NSC 82293
  • 3-Bromobenzene methyl ether

Work with 3-Bromoanisole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dimethoxybenzene151-10-065 % similar 1-Bromo-3,5-dimethoxybenzene20469-65-260 % similar 1,3-Dibromo-5-methoxybenzene74137-36-360 % similar 2-Bromo-6-methoxynaphthalene5111-65-959 % similar 3,3'-Dimethoxybiphenyl6161-50-858 % similar 1-Bromo-3-isopropoxybenzene131738-73-357 % similar 3-(Difluoromethoxy)bromobenzene262587-05-357 % similar 1-Bromo-3-ethoxybenzene2655-84-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromoanisole104-92-7 2-Bromo-6-methylphenol13319-71-6 4-Bromo-3-methylphenol14472-14-1 3-Bromobenzenemethanol15852-73-0 2-Bromobenzyl alcohol18982-54-2 2-Bromo-3-methyl-phenol22061-78-5 4-Bromo-2-methylphenol2362-12-1 5-Bromo-2-methylphenol36138-76-8

Elsewhere

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