Molecular properties
- Formula
- C7H4IN
- Molar mass
- 229.02 g·mol−1
- Exact mass
- 228.9388 Da
- 6
- PubChem CID
- 76467
Molecule record
4-iodobenzonitrile
C7H4IN
229.02 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-Cyano-4-iodobenzene
- 3058-39-7
- 4-CYANOIODOBENZENE
- 4-Iodobenzonitrile, 97%
- 4-iodo-benzonitrile
- 4-iodobenzenecarbonitrile
- 608-503-2
- Benzonitrile, 4-iodo-
Show all 24 synonyms
- Benzonitrile, p-iodo-
- CL8216
- DTXCID4038217
- DTXSID3062819
- MFCD00051310
- NSC 87894
- RefChem:99458
- SBB017618
- SCHEMBL16961417
- SCHEMBL25220025
- SCHEMBL82069
- XOKDXPVXJWTSRM-UHFFFAOYSA-N
- p-Cyanoiodobenzene
- p-Iodobenzonitrile
- p-Jodbenzonitril
- p-iodo-benzonitrile
Structure identifiers
- Canonical SMILES
- N#Cc1ccc(I)cc1
- Isomeric SMILES
- C1=CC(=CC=C1C#N)I
- InChI
- InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H
- InChIKey
- XOKDXPVXJWTSRM-UHFFFAOYSA-N
- PubChem CID
- 76467
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-iodobenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-iodobenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.