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CAS Number: 32703-80-3
4-(tert-butyl)phthalonitrile

Structure

 4-(tert-butyl)phthalonitrile
Name: 4-(tert-butyl)phthalonitrile
Synonyms:
General Information
Product Number: 32703803

CAS Registry Number 32703-80-3
Name:
1,?2-?Benzenedicarbonitril?e, 4-?(1,?1-?dimethylethyl)?-
Phthalonitrile, 4-tert-butyl- (8CI)
1,2-Dicyano-4-tert-butylbenzene
4-tert-Butyl-1,2-dicyanobenzene
4-tert-Butylbenzene-1,2-dicarbonitrile
4-tert-Butylphthalodinitrile

 

Chemical Formula: C12H12N2
Exact Mass: 184.10
Molecular Weight: 184.24
m/z: 184.10 (100.0%), 185.10 (13.7%)

 

InChI:InChI=1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H3

InChI Key:LOTMIRVNJTVTSU-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 57-59 °C   (5)CAS
Melting Point 49 °C   (6)IC

Specification

98%
References
  1. (5) Wang, Chen; Journal of Organic Chemistry 1998, V63(26), P9956-9959 CAPLUS
  2. (6) Shapovalov, A. A.; Izvestiya Akademii Nauk Kazakhskoi SSR, Seriya Khimicheskaya 1981, (4), P56-8 CAPLUS
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