Molecular properties
- Formula
- C7H7I
- Molar mass
- 218.04 g·mol−1
- Exact mass
- 217.9592 Da
- 4
- PubChem CID
- 5128
Molecule record
1-iodo-2-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-2-methyl-benzene
- 2-Iodotoluene
- 2-METHYL-1-IODOBENZENE
- 2-iodo-toluene
- 2-methyliodobenzene
- 2-methylphenyl iodide
- 210-422-9
- 615-37-2
Show all 24 synonyms
- 8OK4H85T07
- Benzene, 1-iodo-2-methyl-
- CHEBI:39813
- DTXCID5043055
- DTXSID0060646
- Iodotoluene
- MFCD00001042
- NSC-3774
- O-IODOTOLUENE
- O-METHYLPHENYL IODIDE
- RefChem:855274
- Toluene, o-iodo-
- UNII-8OK4H85T07
- o-Methyliodobenzene
- o-Tolyl iodide
- ortho-iodotoluene
Structure identifiers
- Canonical SMILES
- Cc1ccccc1I
- Isomeric SMILES
- CC1=CC=CC=C1I
- InChI
- InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
- InChIKey
- RINOYHWVBUKAQE-UHFFFAOYSA-N
- PubChem CID
- 5128
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-2-methylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-iodo-2-methylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.