4-Chloro-2-nitrobenzonitrile
Properties
- Molecular formula
- C7H3ClN2O2
- Molar mass
- 182.56 g/mol
- Exact mass
- 181.9883 Da
- Melting point
- 97 °C
- logP
- 2.12Crippen estimate
- Polar surface area
- 66.9 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
34662-32-3SMILES
N#Cc1ccc(Cl)cc1[N+](=O)[O-]InChIKey
OZKOAADVLVCNFO-UHFFFAOYSA-NInChI
InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzonitrile, 4-chloro-2-nitro-
- NSC 93896
Work with 4-Chloro-2-nitrobenzonitrile
Similar compounds
4-Fluoro-2-nitrobenzonitrile80517-21-165 % similar
4-Methyl-2-nitrobenzonitrile26830-95-563 % similar
4-Chloro-1,2-dinitrobenzene610-40-262 % similar
2-Nitrobenzonitrile612-24-860 % similar
4-Methoxy-2-nitrobenzonitrile38469-83-959 % similar
2-Nitro-4-(trifluoromethyl)benzonitrile778-94-959 % similar
1,4-Dichloro-2-nitrobenzene89-61-258 % similar
5-Chloro-3-nitropyridine-2-carbonitrile181123-11-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.