3,5-Dibromo-4-methylphenol
Properties
- Molecular formula
- C7H6Br2O
- Molar mass
- 265.93 g/mol
- Exact mass
- 263.8785 Da
- Melting point
- 97 °C
- Boiling point
- 280–286 °C
- logP
- 3.23Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
13979-81-2SMILES
Cc1c(Br)cc(O)cc1BrInChIKey
AXCQKKVGMZCWPC-UHFFFAOYSA-NInChI
InChI=1S/C7H6Br2O/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Phenol, 3,5-dibromo-4-methyl-
- p-Cresol, 3,5-dibromo-
- 3,5-Dibromo-p-cresol
Work with 3,5-Dibromo-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
2,4,6-Tribromotoluene6320-40-757 % similar
3,5-Dibromo-4-methylaniline13194-73-552 % similar
3-Bromo-4-methylphenol60710-39-652 % similar
2,4,6-Tribromo-3-methylphenol4619-74-350 % similar
2,6-Dibromotoluene69321-60-448 % similar
3,5-Dibromo-4-methylbenzoic acid67973-32-447 % similar
4-Bromo-3-methylphenol14472-14-146 % similar
4-Bromo-3,5-dimethylphenol7463-51-646 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.