Molecular properties
- Formula
- C7H4IN
- Molar mass
- 229.02 g·mol−1
- Exact mass
- 228.9388 Da
- 6
- PubChem CID
- 2759358
Molecule record
2-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-2-iodobenzene
- 1-Cyano-2-iodobenzene; 2-Cyanophenyl Iodide; 2-Iodophenyl Cyanide; o-Cyanophenyl Iodide; o-Iodobenzonitrile
- 2-Cyanophenyl iodide
- 2-Iodobenzonitrile, 97%
- 2-Iodophenyl cyanide
- 2-cyanoiodobenzene
- 2-iodobenzenecarbonitrile
- 4387-36-4
Show all 24 synonyms
- 610-156-7
- A7018
- AC-1185
- AM20040480
- Benzonitrile, 2-iodo-
- CS-W010392
- DTXCID20325787
- DTXSID40374757
- EN300-59601
- FT-0612668
- MFCD00079761
- PS-7743
- RefChem:87675
- SCHEMBL365279
- iodobenzonitrile
- o-iodobenzonitrile
Structure identifiers
- Canonical SMILES
- N#Cc1ccccc1I
- Isomeric SMILES
- C1=CC=C(C(=C1)C#N)I
- InChI
- InChI=1S/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H
- InChIKey
- JDDAFHUEOVUDFJ-UHFFFAOYSA-N
- PubChem CID
- 2759358
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 2-iodobenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-iodobenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.