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CAS Number: 2317-22-8
2-methylisophthalonitrile

Structure

2-methylisophthalonitrile
Name: 2-methylisophthalonitrile
Synonyms:
General Information
Product Number: 2317228
CAS Registry Number:
2317-22-8
Name:
1,​3-​Benzenedicarbonitril​e, 2-​methyl-
Isophthalonitrile, 2-​methyl- (6CI,​7CI,​8CI); 1,​3-​Dicyano-​2-​methylbenzene; 2,​6-​Dicyanotoluene; 2-​Methylisophthalonitr​ile 
 
Chemical Formula: C9H6N2
Exact Mass: 142.05
Molecular Weight: 142.16
m/z: 142.05 (100.0%), 143.06 (9.8%)
Elemental Analysis: C, 76.04; H, 4.25; N, 19.71
 
InChI: InChI=1S/C9H6N2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,1H3
InChIKey: SVQCNROYIFLAMR-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=CC=C1C#N)C#N
 
Thermal Properties Value Condition Note
Melting Point 136-137 °C   (2)IC
Melting Point 134-136 °C   (3)IC
Melting Point 134-135 °C   (4)IC
Melting Point 132-134 °C   (5)IC

Specification

98%

References

 

 

  • (2) Mao, Yuh-Lin; Journal of Organic Chemistry 1980, V45(14), P2746-9 CAPLUS
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  • (3) Skeean, Richard W.; Synthesis 1990, (7), P628-30 CAPLUS
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  • (4) Sitzmann, Michael E.; Journal of Chemical and Engineering Data 1976, V21(2), P242-3 CAPLUS
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  • (5) Krizan, Timothy D.; Journal of Organic Chemistry 1982, V47(13), P2681-2 CAPLUS
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  • (6) Ugi, Ivar; DE 1158500 1963 CAPLUS
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  • (7) Ugi, Ivar; FR 1384210 1965 CAPLUS
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