3-Bromophenol
Properties
- Molecular formula
- C6H5BrO
- Molar mass
- 173.01 g/mol
- Exact mass
- 171.9524 Da
- Melting point
- 33 °C
- Boiling point
- 236.5 °C
- pKa
- 9.03
- Flash point
- 110 °C (closed cup)
- logP
- 2.15Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed16% of notifiers
- H312 Harmful in contact with skin10% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
591-20-8SMILES
Oc1cccc(Br)c1InChIKey
MNOJRWOWILAHAV-UHFFFAOYSA-NInChI
InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Phenol, 3-bromo-
- Phenol, m-bromo-
- m-Bromophenol
Work with 3-Bromophenol
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-Dibromobenzene108-36-160 % similar
Resorcinol108-46-360 % similar
6-Bromo-2-naphthalenol15231-91-156 % similar
5-Bromoresorcinol106120-04-155 % similar
3,5-Dibromophenol626-41-555 % similar
2-Bromo-7-hydroxynaphthalene116230-30-954 % similar
3,3'-Biphenyldiol612-76-052 % similar
3,3''-Dibromo-1,1':3',1''-terphenyl95962-62-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.