2-Bromo-1,3-dimethylbenzene
Properties
- Molecular formula
- C8H9Br
- Molar mass
- 185.06 g/mol
- Exact mass
- 183.9888 Da
- Boiling point
- 203.5 °C
- logP
- 3.07Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation98% of notifiers
- H319 Causes serious eye irritation98% of notifiers
- H335 May cause respiratory irritation96.1% of notifiers
Aggregated from 51 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
576-22-7SMILES
Cc1cccc(C)c1BrInChIKey
MYMYVYZLMUEVED-UHFFFAOYSA-NInChI
InChI=1S/C8H9Br/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzene, 2-bromo-1,3-dimethyl-
- m-Xylene, 2-bromo-
- 2,6-Dimethylbromobenzene
- 2-Bromo-m-xylene
- 1-Bromo-2,6-dimethylbenzene
- 2,6-Dimethylphenyl bromide
- 2,6-Dimethyl-1-bromobenzene
- 2,6-Xylyl bromide
- 1,3-Dimethyl-2-bromobenzene
Work with 2-Bromo-1,3-dimethylbenzene
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-Bromo-3-methyl-phenol22061-78-565 % similar
2-Bromo-3-methylbenzenamine54879-20-865 % similar
2-Bromo-1-fluoro-3-methylbenzene59907-13-065 % similar
Mesityl bromide576-83-057 % similar
1-Bromo-2-methylnaphthalene2586-62-156 % similar
2-Bromotoluene95-46-552 % similar
2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-652 % similar
4-Bromo-3,5-dimethylaniline59557-90-352 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds