4-Bromo-3,5-dimethyl-benzonitrile
Properties
- Molecular formula
- C9H8BrN
- Molar mass
- 210.07 g/mol
- Exact mass
- 208.9840 Da
- logP
- 2.94Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H311 Toxic in contact with skin50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H332 Harmful if inhaled50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P405, P501
Identifiers
CAS number
75344-77-3SMILES
CC1=CC(=CC(=C1Br)C)C#NInChIKey
AVXHSMPHQGFXRG-UHFFFAOYSA-NInChI
InChI=1S/C9H8BrN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Bromo-3,5-dimethyl-benzonitrile
Similar compounds
4-Bromo-3-methylbenzonitrile41963-20-662 % similar
3,4-Dimethylbenzonitrile22884-95-359 % similar
4-Hydroxy-3,5-dimethylbenzonitrile4198-90-757 % similar
4-Amino-3,5-dimethylbenzonitrile74896-24-557 % similar
3-Bromo-4-methylbenzonitrile42872-74-257 % similar
4-Fluoro-3-methylbenzonitrile185147-08-452 % similar
4-Amino-3-methylbenzonitrile78881-21-752 % similar
Mesityl bromide576-83-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.