2-Bromo-4-methylphenol
Properties
- Molecular formula
- C7H7BrO
- Molar mass
- 187.04 g/mol
- Exact mass
- 185.9680 Da
- Melting point
- 54–55 °C
- Boiling point
- 245–247 °C
- logP
- 2.46Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed10.4% of notifiers
- H312 Harmful in contact with skin10.4% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 48 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
6627-55-0SMILES
Cc1ccc(O)c(Br)c1InChIKey
MTIDYGLTAOZOGU-UHFFFAOYSA-NInChI
InChI=1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Phenol, 2-bromo-4-methyl-
- p-Cresol, 2-bromo-
- 2-Bromo-p-cresol
- 3-Bromo-4-hydroxytoluene
- 2-Bromo-4-cresol
- NSC 60115
Reactions
Work with 2-Bromo-4-methylphenol
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-Methylcatechol452-86-860 % similar
1,2-Dibromo-4-methylbenzene60956-23-260 % similar
2-Chloro-4-methylphenol6640-27-359 % similar
2,6-Dibromo-4-methylphenol2432-14-658 % similar
2,4-Dimethylphenol105-67-956 % similar
Bromo-P-xylene553-94-656 % similar
2-Bromo-1,4-benzenediol583-69-756 % similar
2,4-Dibromophenol615-58-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds