α-Methyl-4-nitrobenzeneacetonitrile

CAS Registry Number®

50712-63-5
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CAS Name

α-Methyl-4-nitrobenzeneacetonitrile

Molecular Formula

C9H8N2O2

Molecular Mass

176.17

Cite this Page

α-Methyl-4-nitrobenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=50712-63-5 (retrieved 2024-04-27) (CAS RN: 50712-63-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    73-75 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8N2O2/c1-7(6-10)8-2-4-9(5-3-8)11(12)13/h2-5,7H,1H3

InChIKey

InChIKey=QCPKTMACPAKCKW-UHFFFAOYSA-N

SMILES

C(C#N)(C)C1=CC=C(N(=O)=O)C=C1

Canonical SMILES

N#CC(C1=CC=C(C=C1)N(=O)=O)C

Other Names for this Substance

  • Benzeneacetonitrile, α-methyl-4-nitro-
  • α-Methyl-4-nitrobenzeneacetonitrile
  • 2-(4-Nitrophenyl)propionitrile
  • 2-(4-Nitrophenyl)propiononitrile
  • 2-(4-Nitrophenyl)propanenitrile

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