4-Methyl-2-nitrobenzonitrile

CAS Registry Number®

26830-95-5
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CAS Name

4-Methyl-2-nitrobenzonitrile

Molecular Formula

C8H6N2O2

Molecular Mass

162.15

Cite this Page

4-Methyl-2-nitrobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=26830-95-5 (retrieved 2024-04-27) (CAS RN: 26830-95-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    134-137 °C

  • Melting Point (2)

    96 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,1H3

InChIKey

InChIKey=QGBSLPHQCUIZKK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(C=C1N(=O)=O)C

Other Names for this Substance

  • Benzonitrile, 4-methyl-2-nitro-
  • p-Tolunitrile, 2-nitro-
  • 4-Methyl-2-nitrobenzonitrile
  • 4-Cyano-3-nitrotoluene
  • NSC 60828

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