Molecular properties
- Formula
- C6H6IN
- Molar mass
- 219.02 g·mol−1
- Exact mass
- 218.9545 Da
- 4
- PubChem CID
- 12271
Molecule record
3-iodoaniline
C6H6IN
219.02 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Primary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (3-iodo-phenyl)-amine
- 210-922-7
- 3-Iodo-phenylamine
- 3-Iodoaniline, 98%
- 3-Iodobenzenamine
- 3-iodo-aniline
- 3-iodophenylamine
- 3iodoaniline
Show all 24 synonyms
- 626-01-7
- Aniline, m-iodo-
- Benzenamine, 3-iodo-
- DTXSID4060812
- EINECS 210-922-7
- EN300-20382
- MFCD00007781
- NSC 34545
- RefChem:502751
- SCHEMBL177007
- SCHEMBL27815863
- SCHEMBL28100721
- SCHEMBL656668
- aniline, 3-iodo-
- m-Aminoiodobenzene
- m-Iodoaniline
Structure identifiers
- Canonical SMILES
- Nc1cccc(I)c1
- Isomeric SMILES
- C1=CC(=CC(=C1)I)N
- InChI
- InChI=1S/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
- InChIKey
- FFCSRWGYGMRBGD-UHFFFAOYSA-N
- PubChem CID
- 12271
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 3-iodoaniline; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-iodoaniline; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.