2,4,6-Trimethylbenzonitrile
Properties
- Molecular formula
- C10H11N
- Molar mass
- 145.20 g/mol
- Exact mass
- 145.0891 Da
- logP
- 2.48Crippen 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 skin11.1% of notifiers
- H315 Causes skin irritation11.1% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H332 Harmful if inhaled11.1% of notifiers
- H335 May cause respiratory irritation11.1% of notifiers
Aggregated from 45 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
2571-52-0SMILES
CC1=CC(=C(C(=C1)C)C#N)CInChIKey
SNIZBGQMWRHNDY-UHFFFAOYSA-NInChI
InChI=1S/C10H11N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,4,6-Trimethylbenzonitrile
Similar compounds
4-Hydroxy-2,6-dimethylbenzonitrile58537-99-862 % similar
2,6-Dimethylbenzonitrile6575-13-956 % similar
2,4-Dimethylbenzonitrile21789-36-654 % similar
3,5-Dimethylbenzonitrile22445-42-752 % similar
5-Methylisophthalonitrile39718-07-552 % similar
2,5-Dimethylbenzonitrile13730-09-150 % similar
2,4,6-Trimethylphenylacetonitrile34688-71-648 % similar
2-Chloromesitylene1667-04-548 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.