4-Bromoanisole
Properties
- Molecular formula
- C7H7BrO
- Molar mass
- 187.04 g/mol
- Exact mass
- 185.9680 Da
- Melting point
- 13.5 °C
- Boiling point
- 215 °C
- logP
- 2.46Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation12.2% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure84.6% of notifiers
- H412 Harmful to aquatic life with long lasting effects84.6% of notifiers
Aggregated from 123 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P273, P280, P302+P352, P319, P321, P332+P317, P362+P364, P501
Identifiers
CAS number
104-92-7SMILES
COc1ccc(Br)cc1InChIKey
QJPJQTDYNZXKQF-UHFFFAOYSA-NInChI
InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
19 names · show all
- Benzene, 1-bromo-4-methoxy-
- Anisole, p-bromo-
- 1-Bromo-4-methoxybenzene
- p-Bromoanisole
- p-Bromanisole
- p-Bromophenyl methyl ether
- 4-Methoxy-1-bromobenzene
- p-Methoxyphenyl bromide
- p-Methoxybromobenzene
- 4-Methoxybromobenzene
- 4-Anisyl bromide
- 4-Methoxyphenyl bromide
- p-Anisyl bromide
- 4-Bromomethoxybenzene
- p-Bromomethoxybenzene
- 4-Bromo-1-methoxybenzene
- 1-Methoxy-4-bromobenzene
- NSC 8042
- 4-Bromoanisol
Work with 4-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
4-Bromo-N,N-bis(4-methoxyphenyl)aniline194416-45-075 % similar
1,4-Dimethoxybenzene150-78-767 % similar
4-Bromo-4'-methoxybenzophenone54118-75-167 % similar
2-Bromo-6-methoxynaphthalene5111-65-962 % similar
4,4'-Dibromodiphenyl ether2050-47-757 % similar
4,4'-Dimethoxybiphenyl2132-80-157 % similar
4-Methoxyphenol150-76-557 % similar
1-Bromo-3,5-dimethoxybenzene20469-65-257 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.