3-Formyl-4-nitrobenzonitrile

CAS Registry Number®

90178-82-8

CAS Name

3-Formyl-4-nitrobenzonitrile

Molecular Formula

C8H4N2O3

Molecular Mass

176.13

Cite this Page

3-Formyl-4-nitrobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90178-82-8 (retrieved 2024-11-28) (CAS RN: 90178-82-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    115-116 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H4N2O3/c9-4-6-1-2-8(10(12)13)7(3-6)5-11/h1-3,5H

InChIKey

InChIKey=KVFQELNRGJIUKT-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(C(C=O)=C1)N(=O)=O

Other Names for this Substance

  • Benzonitrile, 3-formyl-4-nitro-
  • 3-Formyl-4-nitrobenzonitrile
  • 5-Cyano-2-nitrobenzaldehyde
  • 3-Formyl-4-nitrobenzonitril

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