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Molecule record

3-chlorobenzonitrile

C7H4ClN

137.57 g/mol

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Molecular properties

Formula
C7H4ClN
Molar mass
137.57 g·mol−1
Exact mass
137.0032 Da
6
PubChem CID
13015

Functional groups

Aromatic ring
Aryl halide
Nitrile

Physical properties

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

Common names and synonyms

  • 2-(2-BROMOETHYL)-BETA-NITROSTYRENE
  • 212-172-6
  • 3-Chlorobenzoic acid nitrile
  • 3-Chlorobenzonitrile, 99%
  • 3-chloro-benzonitrile
  • 3-chlorobenzenecarbonitrile
  • 5-chlorobenzonitrile
  • 766-84-7
Show all 24 synonyms
  • BENZONITRILE, m-CHLORO-
  • Benzonitrile, 3-chloro-
  • Benzonitrile, 3-chloro-(9CI)
  • CK2125
  • DTXCID20149905
  • DTXSID20227414
  • EINECS 212-172-6
  • EN300-09496
  • FT-0615468
  • MFCD00001798
  • NSC 59733
  • NSC59733
  • RefChem:566243
  • SCHEMBL101999
  • m-Chlorobenzonitrile
  • m-Cyanochlorobenzene

Structure identifiers

Canonical SMILES
N#Cc1cccc(Cl)c1
Isomeric SMILES
C1=CC(=CC(=C1)Cl)C#N
InChI
InChI=1S/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChIKey
WBUOVKBZJOIOAE-UHFFFAOYSA-N
PubChem CID
13015

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 3-chlorobenzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-chlorobenzonitrile; 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