Molecular properties
- Formula
- C7H7I
- Molar mass
- 218.04 g·mol−1
- Exact mass
- 217.9592 Da
- 4
- PubChem CID
- 12268
Molecule record
1-iodo-3-methylbenzene
C7H7I
218.04 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-iodo-3-methyl-benzene
- 210-918-5
- 2H574IR35G
- 3-Iodotoluene
- 3-Methyl-iodobenzene
- 3-Methylphenyl iodide
- 3-iodo-toluene
- 3-methyliodobenzene
Show all 24 synonyms
- 625-95-6
- BRN 1903634
- Benzene, 1-iodo-3-methyl-
- DTXCID7043378
- DTXSID5060809
- EINECS 210-918-5
- M-IODOTOLUENE
- MFCD00001050
- NSC-3775
- RefChem:800376
- Toluene, m-iodo-
- UNII-2H574IR35G
- m-Jodtoluol
- m-Methyliodobenzene
- m-Tolyl iodide
- meta-iodotoluene
Structure identifiers
- Canonical SMILES
- Cc1cccc(I)c1
- Isomeric SMILES
- CC1=CC(=CC=C1)I
- InChI
- InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
- InChIKey
- VLCPISYURGTGLP-UHFFFAOYSA-N
- PubChem CID
- 12268
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 1-iodo-3-methylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-iodo-3-methylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.