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CAS Number: 120511-72-0
2,2'-(5-methyl-1,3-phenylene)bis(2-methylpropanenitrile)

Structure

2,2'-(5-methyl-1,3-phenylene)bis(2-methylpropanenitrile)
Name: 2,2'-(5-methyl-1,3-phenylene)bis(2-methylpropanenitrile)
Synonyms:
General Information
Product Number: 120511720

CAS Registry Number 120511-72-0
Name:
1,​3-​Benzenediacetonitril​e, α1,​α1,​α3,​α3,​5-​pentamethyl-
1,3-Benzenediacetonitrile, α,α,α',α',5-pentamethyl- (9CI)
2,2'-(5-Methyl-1,3-phenylene)di(2-methylpropionitrile)
2-[3-(Cyanodimethylmethyl)-5-methylphenyl]-2-methylpropionitrile
3,5-Bis(2-cyano-2-methylethyl)toluene
3,5-Bis(2-cyanoprop-2-yl)toluene

 

Chemical Formula: C15H18N2
Exact Mass: 226.15
Molecular Weight: 226.32
m/z: 226.15 (100.0%), 227.15 (16.4%), 228.15 (1.3%)

 

InChI:InChI=1S/C15H18N2/c1-11-6-12(14(2,3)9-16)8-13(7-11)15(4,5)10-17/h6-8H,1-5H3

InChI Key:SJECEXNMZXMXNE-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 124-129 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (1)CAS

Specification

98%

References
  1. (1) Jackson, Toby; Organic & Biomolecular Chemistry 2007, V5(18), P2940-2952 CAPLUS
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