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CAS Number: 84803-57-6
2-(4-(tert-butyl)-2,6-dimethylphenyl)acetonitrile

Structure

 2-(4-(tert-butyl)-2,6-dimethylphenyl)acetonitrile
Name: 2-(4-(tert-butyl)-2,6-dimethylphenyl)acetonitrile
Synonyms:
General Information
Product Number: 84803576

CAS Registry Number 84803-57-6
Name:
Benzeneacetonitrile, 4-?(1,?1-?dimethylethyl)?-?2,?6-?dimethyl-
4-tert-Butyl-2,6-dimethylphenylacetonitrile

 

Chemical Formula: C14H19N
Exact Mass: 201.15
Molecular Weight: 201.31
m/z: 201.15 (100.0%), 202.16 (15.4%), 203.16 (1.1%)

 

InChI:InChI=1S/C14H19N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6H2,1-5H3

InChI Key:ZUXNULGHCOXCFL-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=CC(=C1CC#N)C)C(C)(C)C

 

Thermal Properties Value Condition Note
Boiling Point 169-170 °C Press: 23 Torr (1)CAS
Melting Point 90 °C Solv: ethanol (64-17-5) (1)CAS

Specification

98%
References
  1. (1) Buu-Hoi; Bulletin de la Societe Chimique de France 1942, V9, P889-92 CAPLUS
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