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CAS Number: 1943-88-0
4-methylisophthalonitrile

Structure

4-methylisophthalonitrile
Name: 4-methylisophthalonitrile
Synonyms:
General Information
Product Number: 1943880

CAS Registry Number 1943-88-0
Name:
1,​3-​Benzenedicarbonitril​e, 4-​methyl-
Isophthalonitrile, 4-methyl- (7CI,8CI)
2,4-Dicyanotoluene
4-Methylisophthalonitrile

 

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)4-9(7)6-11/h2-4H,1H3

InChI Key:KWSRDTCYJMRAAD-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 154-155 °C   (4)CAS
Melting Point 144-145 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 142-144 °C   (6)CAS
Melting Point 142-143 °C Solv: methanol (67-56-1) (3)IC
Melting Point 88-89 °C   (4)CAS
Melting Point 87.5-88.5 °C   (7)CAS
Melting Point 87.5-88.5 °C Solv: methanol (67-56-1) (8)CAS

Specification

98%

References
  1. (3) Yasuda, Masahide; Journal of Organic Chemistry 1987, V52(5), P753-9 CAPLUS
  2. (4) Ugi, I.; Angewandte Chemie 1965, V77(11), P492-504 CAPLUS
  3. (5) Borsche, W.; Justus Liebigs Annalen der Chemie 1912, V386, P351-73 CAPLUS
  4. (6) Friedman, L.; Journal of Organic Chemistry 1961, V26, P2522-4 CAPLUS
  5. (7) Ugi, Ivar; FR 1384210 1965 CAPLUS
  6. (8) Ugi, Ivar; DE 1158500 1963 CAPLUS
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