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CAS Number: 36715-97-6
3-methylphthalonitrile

Structure

 3-methylphthalonitrile
Name: 3-methylphthalonitrile
Synonyms:
General Information
Product Number: 36715976

CAS Registry Number 36715-97-6
Name:
1,?2-?Benzenedicarbonitril?e, 3-?methyl-
3-Methylphthalodinitrile
3-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/c1-7-3-2-4-8(5-10)9(7)6-11/h2-4H,1H3

InChI Key:OHVMIPVAUWCHCL-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=CC(=C1C#N)C#N

 

Thermal Properties Value Condition Note
Melting Point 143 °C   (1)IC
Melting Point 143 °C Solv: benzene (71-43-2) (2)CAS
Melting Point 142-143 °C   (3)IC

Specification

98%
References
  1. (1) Siegl, Walter O.; Journal of Organic Chemistry 1977, V42(21), P3442-3 CAPLUS
  2. (2) Gabriel, S.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1919, V52B, P1079 92 CAPLUS
  3. (3) Sutherland, Ronald G.; Canadian Journal of Chemistry 1989, V67(1), P137-42 CAPLUS
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