3-Bromo-4-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 swallowed98% of notifiers
- H312 Harmful in contact with skin96% of notifiers
- H315 Causes skin irritation16% of notifiers
- H319 Causes serious eye irritation18% of notifiers
- H332 Harmful if inhaled96% of notifiers
- H335 May cause respiratory irritation16% of notifiers
Aggregated from 50 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
42872-74-2SMILES
CC1=C(C=C(C=C1)C#N)BrInChIKey
VXUMRYMTYKDWMO-UHFFFAOYSA-NInChI
InChI=1S/C8H6BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Bromo-4-methylbenzonitrile
Similar compounds
4-Bromo-3-methylbenzonitrile41963-20-672 % similar
3,4-Dimethylbenzonitrile22884-95-364 % similar
4-Bromo-3,5-dimethyl-benzonitrile75344-77-357 % similar
3-Fluoro-4-methylbenzonitrile170572-49-356 % similar
3-Chloro-4-methylbenzonitrile21423-81-456 % similar
3-Bromo-4-hydroxybenzonitrile2315-86-856 % similar
4-Amino-3-bromobenzonitrile50397-74-556 % similar
3-Amino-4-methylbenzonitrile60710-80-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds