2,5-Dimethyl-3-nitrobenzonitrile

CAS Registry Number®

625112-45-0

CAS Name

2,5-Dimethyl-3-nitrobenzonitrile

Molecular Formula

C9H8N2O2

Molecular Mass

176.17

Cite this Page

2,5-Dimethyl-3-nitrobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=625112-45-0 (retrieved 2024-11-25) (CAS RN: 625112-45-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    76-77 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8N2O2/c1-6-3-8(5-10)7(2)9(4-6)11(12)13/h3-4H,1-2H3

InChIKey

InChIKey=DIZUEYJVKMJRRO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C=C(C=C(C1C)N(=O)=O)C

Other Names for this Substance

  • Benzonitrile, 2,5-dimethyl-3-nitro-
  • 2,5-Dimethyl-3-nitrobenzonitrile

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