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CAS Number: 31643-49-9
4-nitrophthalonitrile

Structure

 4-nitrophthalonitrile
Name: 4-nitrophthalonitrile
Synonyms:
General Information
Product Number: 31643499

CAS Registry Number 31643-49-9
Name:
1,?2-?Benzenedicarbonitril?e, 4-?nitro-
Phthalonitrile, 4-nitro- (6CI,8CI)
4-Nitro-1,2-benzenedicarbonitrile
1,2-Dicyano-4-nitrobenzene
3,4-Dicyano-1-nitrobenzene
3,4-Dicyanonitrobenzene

 

Chemical Formula: C8H3N3O2
Exact Mass: 173.02
Molecular Weight: 173.13
m/z: 173.02 (100.0%), 174.03 (8.8%), 174.02 (1.1%)

 

InChI:InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H

InChI Key:NTZMSBAAHBICLE-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1[N+](=O)[O-])C#N)C#N

Specification

98%
References
  1. (1) Zharnikova, N.; Journal of Materials Chemistry 2009, V19(20), P3161-3167 CAPLUS
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