2-Nitrobenzonitrile
Properties
- Molecular formula
- C7H4N2O2
- Molar mass
- 148.12 g/mol
- Exact mass
- 148.0273 Da
- Melting point
- 108 °C
- Boiling point
- 135 °C (at 0.5 Torr)
- logP
- 1.47Crippen estimate
- Polar surface area
- 66.9 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed88.9% of notifiers
- H311 Toxic in contact with skin11.1% of notifiers
- H332 Harmful if inhaled88.9% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P405, P501
Identifiers
CAS number
612-24-8SMILES
N#Cc1ccccc1[N+](=O)[O-]InChIKey
SWBDKCMOLSUXRH-UHFFFAOYSA-NInChI
InChI=1S/C7H4N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzonitrile, 2-nitro-
- Benzonitrile, o-nitro-
- o-Nitrobenzonitrile
- o-Cyanonitrobenzene
- 2-Cyanonitrobenzene
- 2-Cyano-1-nitrobenzene
- NSC 1994
Work with 2-Nitrobenzonitrile
Similar compounds
3-Nitrophthalonitrile51762-67-574 % similar
2,6-Dinitrobenzonitrile35213-00-467 % similar
4-Fluoro-2-nitrobenzonitrile80517-21-162 % similar
1,2-Dinitrobenzene528-29-062 % similar
4-Methyl-2-nitrobenzonitrile26830-95-560 % similar
5-Chloro-2-nitrobenzonitrile34662-31-260 % similar
4-Chloro-2-nitrobenzonitrile34662-32-360 % similar
5-Fluoro-2-nitrobenzonitrile50594-78-060 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.