3-Bromo-2-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 swallowed100% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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
52780-15-1SMILES
CC1=C(C=CC=C1Br)C#NInChIKey
VJMRAGHVKBZNAF-UHFFFAOYSA-NInChI
InChI=1S/C8H6BrN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Bromo-2-methylbenzonitrile
Similar compounds
2,3-Dimethylbenzonitrile5724-56-162 % similar
2-Bromobenzonitrile2042-37-762 % similar
3-Chloro-2-methylbenzonitrile54454-12-560 % similar
3-Fluoro-2-methylbenzonitrile185147-06-258 % similar
2,6-Dibromotoluene69321-60-456 % similar
2-Amino-3-bromobenzonitrile114344-60-455 % similar
2-Bromo-4-methylbenzonitrile42872-73-148 % similar
2-Bromo-5-methylbenzonitrile42872-83-348 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.