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CAS Number: 55984-93-5
2-methylterephthalonitrile

Structure

 2-methylterephthalonitrile
Name: 2-methylterephthalonitrile
Synonyms:
General Information
Product Number: 55984935

CAS Registry Number 55984-93-5
Name:
1,?4-?Benzenedicarbonitril?e, 2-?methyl-
Terephthalonitrile, methyl- (6CI)
2-Methyl-1,4-benzenedicarbonitrile
2,5-Dicyanotoluene
Methylterephthalonitrile

 

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

InChI Key：UJXAVMZSVIODSH-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 152-153 °C Solv: ethanol (64-17-5) (6)CAS
Melting Point 150-152 °C   (7)CAS
Melting Point 144-147 °C   (5)IC
Melting Point 142-145 °C   (4)CAS

Specification

98%
References
  1. (4) Grossman, Olga; Organic Letters 2006, V8(6), P1189-1191 CAPLUS
  2. (5) Anzalone, Luigi; Journal of Organic Chemistry 1985, V50(12), P2128-33 CAPLUS
  3. (6) Cachia, Marc; Bulletin de la Societe Chimique de France 1958, P1418-25 CAPLUS
  4. (7) Hodgson, Herbert H.; Journal of the Chemical Society 1949, P1131-3 CAPLUS
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