2-Cyanobenzeneacetonitrile
Properties
- Molecular formula
- C9H6N2
- Molar mass
- 142.16 g/mol
- Exact mass
- 142.0531 Da
- Melting point
- 79–80 °C
- logP
- 1.62Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.9% of notifiers
- H312 Harmful in contact with skin95.8% of notifiers
- H315 Causes skin irritation14.6% of notifiers
- H319 Causes serious eye irritation14.6% of notifiers
- H332 Harmful if inhaled95.8% of notifiers
- H335 May cause respiratory irritation12.5% of notifiers
Aggregated from 48 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
3759-28-2SMILES
N#CCc1ccccc1C#NInChIKey
GKHSEDFDYXZGCG-UHFFFAOYSA-NInChI
InChI=1S/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Benzeneacetonitrile, 2-cyano-
- o-Tolunitrile, α-cyano-
- α-Cyano-o-tolunitrile
- o-Cyanobenzyl cyanide
- α-Cyano-o-toluonitrile
- 1-Cyano-2-(cyanomethyl)benzene
- (o-Cyanophenyl)acetonitrile
- 2-Cyanobenzyl cyanide
- (2-Cyanophenyl)acetonitrile
- Homophthalonitrile
- 2-(Cyanomethyl)benzonitrile
- NSC 340237
Work with 2-Cyanobenzeneacetonitrile
Similar compounds
o-Phenylenediacetonitrile613-23-065 % similar
1,2-Benzenediacetonitrile613-73-065 % similar
2-Cyanobenzyl bromide22115-41-957 % similar
2-Ethylbenzonitrile34136-59-957 % similar
2-Cyanobenzyl chloride612-13-557 % similar
(2-Bromophenyl)acetonitrile19472-74-354 % similar
Phthalonitrile91-15-652 % similar
2-Methylphenylacetonitrile22364-68-752 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.