2-Bromoanisole

C7H7BrOCAS 578-57-4187.04 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
Melting point
2.5 °C
Boiling point
216 °C
logP
2.46Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 33 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number
578-57-4
SMILES
COc1ccccc1Br
InChIKey
HTDQSWDEWGSAMN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

Weigh it out

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Names and synonyms

16 names · show all
  • Benzene, 1-bromo-2-methoxy-
  • Anisole, o-bromo-
  • 1-Bromo-2-methoxybenzene
  • o-Methoxybromobenzene
  • o-Bromoanisole
  • o-Bromophenyl methyl ether
  • 2-Bromo-1-methoxybenzene
  • o-Methoxyphenyl bromide
  • 2-Methoxyphenyl bromide
  • 2-Methoxybromobenzene
  • o-Anisyl bromide
  • o-Bromomethoxybenzene
  • 2-Bromomethoxybenzene
  • NSC 6977
  • 2-Methoxy-1-bromobenzene
  • 2-Bromo-3-methoxybenzene

Work with 2-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

1,2-Dimethoxybenzene91-16-765 % similar 1-Bromo-2,3-dimethoxybenzene5424-43-164 % similar 1-Bromo-3-methoxy-2-methylbenzene31804-36-162 % similar 1-Bromo-2-fluoro-3-methoxybenzene295376-21-559 % similar 1-Bromo-4-methoxynaphthalene5467-58-359 % similar 2-Bromo-1,3-dimethoxybenzene16932-45-958 % similar 1,4-Dibromo-2,5-dimethoxybenzene2674-34-257 % similar 1,2-Dibromo-4,5-dimethoxybenzene37895-73-157 % 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 3-Bromoanisole2398-37-0

Elsewhere

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