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Molecule record

2-formylbenzonitrile

C8H5NO

131.13 g/mol

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Molecular properties

Formula
C8H5NO
Molar mass
131.13 g·mol−1
Exact mass
131.0371 Da
7
PubChem CID
101209

Functional groups

Aldehyde
Aromatic ring
Nitrile

Physical properties

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

Common names and synonyms

  • 2-Cyanobenzaldehyde
  • 2-Cyanobenzaldehyde, 98%
  • 2-Formylbenzonitrile #
  • 2-cyano-benzaldehyde
  • 2-formyl-benzonitrile
  • 2-formylbenzenecarbonitrile
  • 628-601-9
  • 7468-67-9
Show all 24 synonyms
  • ALBB-017978
  • Alogliptin Related Compound 81
  • Benzonitrile, 2-formyl-
  • CHEMBL4469993
  • DTXSID80225653
  • MFCD00017503
  • NSC 400131
  • NSC400131
  • ORTHO-CYANOBENZALDEHYDE
  • RefChem:470719
  • SBB059365
  • SCHEMBL98562
  • SCHEMBL98563
  • STL163938
  • cyanobenzaldehyde
  • o-Cyanobenzaldehyde

Structure identifiers

Canonical SMILES
N#Cc1ccccc1C=O
Isomeric SMILES
C1=CC=C(C(=C1)C=O)C#N
InChI
InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H
InChIKey
QVTPWONEVZJCCS-UHFFFAOYSA-N
PubChem CID
101209

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 2-formylbenzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-formylbenzonitrile; 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