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CAS Number: 63089-50-9
4-methylphthalonitrile

Structure

 4-methylphthalonitrile
Name: 4-methylphthalonitrile
Synonyms:
General Information
Product Number: 63089509

CAS Registry Number 63089-50-9
Name:
1,?2-?Benzenedicarbonitril?e, 4-?methyl-
Phthalonitrile, 4-methyl- (6CI)
4-Methyl-1,2-benzenedicarbonitrile
3,4-Dicyanotoluene
4-Methylphthalodinitrile
4-Methylphthalonitrile

 

Chemical Formula: C9H6N2
Exact Mass: 142.05
Molecular Weight: 142.16
m/z: 142.05 (100.0%), 143.06 (9.8%)

 

InChI:InChI=1S/C9H6N2/c1-7-2-3-8(5-10)9(4-7)6-11/h2-4H,1H3

InChI Key:MDXGRFMFORMPGT-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=C(C=C1)C#N)C#N

 

Thermal Properties Value Condition Note
Melting Point 120 °C   (4)IC
Melting Point 118.4-118.5 °C   (5)CAS

Specification

98%
References
  1. (4) Siegl, Walter O.; Journal of Organic Chemistry 1977, V42(21), P3442-3 CAPLUS
  2. (5) Xu, Xiu Zhi; Acta Crystallographica, Section E: Structure Reports Online 2005, V61(10), Po3145-o3146 CAPLUS
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