Molecular properties
- Formula
- C8H5NO
- Molar mass
- 131.13 g·mol−1
- Exact mass
- 131.0371 Da
- 7
- PubChem CID
- 66042
Molecule record
4-formylbenzonitrile
C8H5NO
131.13 g/mol
Loading structure
Functional groups
Aldehyde
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 105-07-7
- 203-267-3
- 4-Cyanobenzaldehyde
- 4-FormYl-Benzonitrile
- 4-cyano-benzaldehyde
- 4-formylbenzenecarbonitrile
- Benzaldehyde, p-cyano-
- Benzonitrile, 4-formyl-
Show all 24 synonyms
- Benzonitrile, p-formyl-
- CHEMBL1922276
- DTXCID9032909
- DTXSID6059312
- DWH62Y9TCA
- MFCD00003376
- NSC-5091
- NSC5091
- RefChem:98649
- Terephthalaldehydonitrile
- UNII-DWH62Y9TCA
- USAF KF-1
- p-Cyanobenzaldehyde
- p-Cyanobenzenecarboxaldehyde
- p-Formylbenzonitrile
- p-cyano benzaldehyde
Structure identifiers
- Canonical SMILES
- N#Cc1ccc(C=O)cc1
- Isomeric SMILES
- C1=CC(=CC=C1C=O)C#N
- InChI
- InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H
- InChIKey
- WZWIQYMTQZCSKI-UHFFFAOYSA-N
- PubChem CID
- 66042
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-formylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-formylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.