4-Methyl-3-nitrobenzonitrile

Catalog Number	ACM939797
CAS Number	939-79-7
Synonyms	4-Cyano-2-nitrotoluene
IUPAC Name	4-methyl-3-nitrobenzonitrile
Molecular Weight	162.15
Molecular Formula	C8H6N2O2
Canonical SMILES	CC1=C(C=C(C=C1)C#N)[N+](=O)[O-]
InChI	InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,1H3
InChI Key	KOFBNBCOGKLUOM-UHFFFAOYSA-N
Boiling Point	171 °C 12mmHg
Melting Point	102-106 °C (lit.)
Purity	98%+
Density	1.26±0.1 g/ml