2,6-Dimethylbenzonitrile
Properties
- Molecular formula
- C9H9N
- Molar mass
- 131.18 g/mol
- Exact mass
- 131.0735 Da
- Melting point
- 89–90 °C
- Boiling point
- 70–75 °C (at 0.03 Torr)
- logP
- 2.18Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 6 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
6575-13-9SMILES
Cc1cccc(C)c1C#NInChIKey
QSACPWSIIRFHHR-UHFFFAOYSA-NInChI
InChI=1S/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzonitrile, 2,6-dimethyl-
- 2-Cyano-1,3-dimethylbenzene
- NSC 98304
Work with 2,6-Dimethylbenzonitrile
Similar compounds
2-Chloro-6-methylbenzonitrile6575-09-372 % similar
2-Fluoro-6-methylbenzonitrile198633-76-069 % similar
2-Amino-6-methylbenzonitrile56043-01-769 % similar
2-Methylbenzonitrile529-19-158 % similar
2-Methyl-6-nitrobenzonitrile1885-76-356 % similar
2,4,6-Trimethylbenzonitrile2571-52-056 % similar
2,3-Dimethylbenzonitrile5724-56-156 % similar
2-Chloro-4-methyl-3-pyridinecarbonitrile65169-38-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.