Molecular properties
- Formula
- C7H4ClN
- Molar mass
- 137.57 g·mol−1
- Exact mass
- 137.0032 Da
- 6
- PubChem CID
- 12163
Molecule record
4-chlorobenzonitrile
C7H4ClN
137.57 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-CHLORO-4-BENZONITRILE
- 1-chloro-4-cyanobenzene
- 1-cyano-4-chlorobenzene
- 4-CYANOPHENYL CHLORID
- 4-Chlorobenzoic acid nitrile
- 4Z0HGP3A8A
- 623-03-0
- AI3-00492
Show all 24 synonyms
- Benzonitrile, 4-chloro-
- Benzonitrile, p-chloro-
- Benzonitrile, pchloro
- DTXCID6024703
- DTXSID8044703
- EC 210-765-4
- EINECS 210-765-4
- NSC 6111
- Nitril kyseliny p-chlorbenzoove
- Nitril kyseliny p-chlorbenzoove [Czech]
- UNII-4Z0HGP3A8A
- p-Chlorobenzonitrile
- p-Chlorocyanobenzene
- p-Cyanochlorobenzene
- pChlorobenzonitrile
- pCyanochlorobenzene
Structure identifiers
- Canonical SMILES
- N#Cc1ccc(Cl)cc1
- Isomeric SMILES
- C1=CC(=CC=C1C#N)Cl
- InChI
- InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H
- InChIKey
- GJNGXPDXRVXSEH-UHFFFAOYSA-N
- PubChem CID
- 12163
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-chlorobenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-chlorobenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.