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CAS Number: 71825-51-9
2-methyl-2-(4-nitrophenyl)propanenitrile

Structure

2-methyl-2-(4-nitrophenyl)propanenitrile
Name: 2-methyl-2-(4-nitrophenyl)propanenitrile
Synonyms:
General Information
Product Number: 71825519

CAS Registry Number 71825-51-9
Name:
Benzeneacetonitrile, α,​α-​dimethyl-​4-​nitro-
2-Methyl-2-(4-nitrophenyl)propanenitrile
2-Methyl-2-(4-nitrophenyl)propionitrile
α,α-Dimethyl-4-nitrobenzeneacetonitrile

 

Chemical Formula: C10H10N2O2
Exact Mass: 190.07
Molecular Weight: 190.20
m/z: 190.07 (100.0%), 191.08 (11.0%)

 

InChI:InChI=1S/C6H7ClN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3

InChI Key:JHNRTJRDRWKAIW-UHFFFAOYSA-N

Canonical SMILES:COC1=CC(=NC(=N1)OC)Cl

 

Thermal Properties Value Condition Note
Melting Point 80-81.5 °C   (2)IC
Melting Point 67-68 °C Solv: ethanol (64-17-5) (3)CAS

Specification

98%

References
  1. (2) Kornblum, Nathan; Journal of Organic Chemistry 1987, V52(2), P196-204 CAPLUS
  2. (3) Jonsson, Ake; Acta Chemica Scandinavica 1954, V8, P1211-17 CAPLUS
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