4-Bromo-3-methylbenzonitrile
Properties
- Molecular formula
- C8H6BrN
- Molar mass
- 196.05 g/mol
- Exact mass
- 194.9684 Da
- logP
- 2.63Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed97.8% of notifiers
- H312 Harmful in contact with skin97.8% of notifiers
- H315 Causes skin irritation10.9% of notifiers
- H319 Causes serious eye irritation10.9% of notifiers
- H332 Harmful if inhaled97.8% of notifiers
Aggregated from 46 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, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
41963-20-6SMILES
CC1=C(C=CC(=C1)C#N)BrInChIKey
SKXUZFJOLNNWIG-UHFFFAOYSA-NInChI
InChI=1S/C8H6BrN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Bromo-3-methylbenzonitrile
Similar compounds
3-Bromo-4-methylbenzonitrile42872-74-272 % similar
3,4-Dimethylbenzonitrile22884-95-364 % similar
4-Bromo-3,5-dimethyl-benzonitrile75344-77-362 % similar
4-Bromo-3-fluorobenzonitrile133059-44-656 % similar
4-Fluoro-3-methylbenzonitrile185147-08-456 % similar
4-Amino-3-methylbenzonitrile78881-21-756 % similar
4-Bromo-3-methylphenol14472-14-152 % similar
3-Fluoro-4-methylbenzonitrile170572-49-352 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.