1-Bromo-2,4,5-trimethylbenzene
Properties
- Molecular formula
- C9H11Br
- Molar mass
- 199.09 g/mol
- Exact mass
- 198.0044 Da
- Melting point
- 73 °C
- Boiling point
- 234 °C
- logP
- 3.37Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
5469-19-2SMILES
Cc1cc(C)c(Br)cc1CInChIKey
SCZXFZRJDVZMJI-UHFFFAOYSA-NInChI
InChI=1S/C9H11Br/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzene, 1-bromo-2,4,5-trimethyl-
- 2,4,5-Trimethylbromobenzene
- 5-Bromopseudocumene
- 5-Bromo-1,2,4-trimethylbenzene
- NSC 26913
Work with 1-Bromo-2,4,5-trimethylbenzene
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
2,5-Dibromo-p-xylene1074-24-488 % similar
1,5-Dibromo-2,4-dimethylbenzene615-87-282 % similar
2,4,5-Tribromotoluene3278-88-478 % similar
4,5-Dibromo-O-xylene24932-48-776 % similar
1-Bromo-4,5-difluoro-2-methylbenzene875664-38-357 % similar
Durene95-93-256 % similar
4-Bromo-2,5-dimethylphenylboronic acid130870-00-754 % similar
2,4-Dibromo-1-methylbenzene31543-75-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds