4-Chloro-3-nitrobenzonitrile

Catalog Number	ACM939800
CAS Number	939-80-0
Structure
Synonyms	3-Nitro-4-chlorophenyl carbonitrile
IUPAC Name	4-chloro-3-nitrobenzonitrile
Molecular Weight	182.56
Molecular Formula	C7H3ClN2O2
Canonical SMILES	C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl
InChI	InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChI Key	XBLPHYSLHRGMNW-UHFFFAOYSA-N
Boiling Point	284.8±25.0 °C
Melting Point	98-100 °C
Purity	98%+
Density	1.613 g/ml