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Molecule record

4-nitrobenzonitrile

C7H4N2O2

148.12 g/mol

Loading structure

Molecular properties

Formula
C7H4N2O2
Molar mass
148.12 g·mol−1
Exact mass
148.0273 Da
7
PubChem CID
12090

Functional groups

Aromatic ring
Nitrile
Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1-cyano-4-nitrobenzene
  • 210-610-0
  • 4-CYANO-1-NITROBENZENE
  • 4-Cyanonitrobenzene
  • 4-Nitrobenzonitrile, 97%
  • 4-nitro-benzonitrile
  • 4-nitrobenzenecarbonitrile
  • 4-nitrobenzonitril
Show all 24 synonyms
  • 4QKT535WUA
  • 619-72-7
  • AI3-00478
  • Benzonitrile, 4-nitro-
  • Benzonitrile, p-nitro-
  • CCRIS 2328
  • DTXCID6043179
  • DTXSID7060706
  • EINECS 210-610-0
  • MFCD00007279
  • NSC-5383
  • P-NITROBENZONITRILE
  • RefChem:100049
  • SCHEMBL57257
  • UNII-4QKT535WUA
  • p-Cyanonitrobenzene

Structure identifiers

Canonical SMILES
N#Cc1ccc([N+](=O)[O-])cc1
Isomeric SMILES
C1=CC(=CC=C1C#N)[N+](=O)[O-]
InChI
InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H
InChIKey
NKJIFDNZPGLLSH-UHFFFAOYSA-N
PubChem CID
12090

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-nitrobenzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitrobenzonitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record