4-Bromo-2-methylphenol
Properties
- Molecular formula
- C7H7BrO
- Molar mass
- 187.04 g/mol
- Exact mass
- 185.9680 Da
- Melting point
- 64.7 °C
- Boiling point
- 235 °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 swallowed93.9% of notifiers
- H312 Harmful in contact with skin10.2% of notifiers
- H315 Causes skin irritation20.4% of notifiers
- H319 Causes serious eye irritation20.4% of notifiers
- H335 May cause respiratory irritation18.4% of notifiers
Aggregated from 49 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
2362-12-1SMILES
Cc1cc(Br)ccc1OInChIKey
IWJGMJHAIUBWKT-UHFFFAOYSA-NInChI
InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- o-Cresol, 4-bromo-
- Phenol, 4-bromo-2-methyl-
- 4-Bromo-o-cresol
- 3-Bromo-6-hydroxytoluene
- 2-Methyl-4-bromophenol
Work with 4-Bromo-2-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
Methylhydroquinone95-71-662 % similar
4-Bromocatechol17345-77-660 % similar
4-Bromo-o-xylene583-71-160 % similar
4-Bromo-2-iodophenol207115-22-857 % similar
2,4-Dimethylphenol105-67-956 % similar
2,4-Dibromophenol615-58-756 % similar
2,5-Dibromotoluene615-59-856 % similar
5-Bromo-2-iodotoluene116632-39-454 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.