2-Bromophenol
Properties
- Molecular formula
- C6H5BrO
- Molar mass
- 173.01 g/mol
- Exact mass
- 171.9524 Da
- Density
- 1.4924 g/mL (at 20 °C)
- Melting point
- 5.6 °C
- Boiling point
- 194.5 °C
- pKa
- 8.45
- Flash point
- 42 °C (closed cup)
- logP
- 2.15Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor88.1% of notifiers
- H302 Harmful if swallowed98.3% of notifiers
- H312 Harmful in contact with skin15.3% of notifiers
- H315 Causes skin irritation93.2% of notifiers
- H319 Causes serious eye irritation93.2% of notifiers
- H335 May cause respiratory irritation91.5% of notifiers
- H400 Very toxic to aquatic life89.8% of notifiers
Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
95-56-7SMILES
Oc1ccccc1BrInChIKey
VADKRMSMGWJZCF-UHFFFAOYSA-NInChI
InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Phenol, 2-bromo-
- Phenol, o-bromo-
- o-Bromophenol
- NSC 6970
- 2-Hydroxy-1-bromobenzene
- 2-Bromo-3-hydroxybenzene
Reactions
Work with 2-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
Catechol120-80-959 % similar
2-Amino-3-bromophenol116435-77-954 % similar
1,2-Dibromobenzene583-53-953 % similar
2,2'-Biphenol1806-29-750 % similar
2-Bromo-1,4-benzenediol583-69-750 % similar
2,4-Dibromophenol615-58-750 % similar
2,6-Dibromophenol608-33-348 % similar
3-Bromo-4-hydroxybenzonitrile2315-86-846 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds