Molecular properties
- Formula
- C7H7I
- Molar mass
- 218.04 g·mol−1
- Exact mass
- 217.9592 Da
- 4
- PubChem CID
- 12207
Molecule record
1-iodo-4-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-Methyl-4-iodobenzene
- 1-iodo-4-methyl-benzene
- 210-841-7
- 4-IODOMETHYLBENZENE
- 4-Iodotoluene
- 4-METHYLPHENYL IODIDE
- 4-iodo toluene
- 4-iodophenylmethane
Show all 24 synonyms
- 4-methyliodobenzene
- 624-31-7
- Benzene, 1-iodo-4-methyl-
- DTXCID6043333
- DTXSID4060785
- G75KCN1AM8
- MFCD00001059
- NSC-3776
- P-IODOTOLUENE
- PARA IODOTOLUENE
- RefChem:858092
- Toluene, p-iodo-
- UNII-G75KCN1AM8
- p-Methyliodobenzene
- p-Tolyl iodide
- p-tolyliodide
Structure identifiers
- Canonical SMILES
- Cc1ccc(I)cc1
- Isomeric SMILES
- CC1=CC=C(C=C1)I
- InChI
- InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
- InChIKey
- UDHAWRUAECEBHC-UHFFFAOYSA-N
- PubChem CID
- 12207
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-4-methylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-iodo-4-methylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.