4-Bromophenol
Properties
- Molecular formula
- C6H5BrO
- Molar mass
- 173.01 g/mol
- Exact mass
- 171.9524 Da
- Density
- 1.84 g/mL (at 15 °C)
- Melting point
- 66.4 °C
- Boiling point
- 238 °C
- pKa
- 9.17
- logP
- 2.15Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed91.8% of notifiers
- H312 Harmful in contact with skin13.1% of notifiers
- H315 Causes skin irritation95.1% of notifiers
- H319 Causes serious eye irritation86.9% of notifiers
- H335 May cause respiratory irritation85.2% of notifiers
Aggregated from 61 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
106-41-2SMILES
Oc1ccc(Br)cc1InChIKey
GZFGOTFRPZRKDS-UHFFFAOYSA-NInChI
InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Phenol, 4-bromo-
- Phenol, p-bromo-
- p-Bromophenol
- p-Bromohydroxybenzene
- p-Bromophenic acid
- 1-Bromo-4-hydroxybenzene
- NSC 4970
- 4-Hydroxyphenyl bromide
- 4-Hydroxybromobenzene
Reactions
Work with 4-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
4-Bromo-4′-hydroxybiphenyl29558-77-882 % similar
1,4-Dibromobenzene106-37-664 % similar
Hydroquinone123-31-964 % similar
4,4′-Dibromobiphenyl92-86-453 % similar
4,4'-Biphenol92-88-653 % similar
5-Bromoresorcinol106120-04-153 % similar
3,5-Dibromophenol626-41-553 % similar
2-Bromo-7-hydroxynaphthalene116230-30-952 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds