ChemArche
Sign inAccount

Molecule record

4-iodobenzaldehyde

C7H5IO

232.02 g/mol

Loading structure

Molecular properties

Formula
C7H5IO
Molar mass
232.02 g·mol−1
Exact mass
231.9385 Da
5
PubChem CID
96657

Functional groups

Aldehyde
Aromatic ring
Aryl halide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 15164-44-0
  • 4-IODOBENZENECARBALDEHYDE
  • 4-Iodo-benzaldehyde
  • 4-Iodobenzaldehyde, 96%
  • 4-Iodobenzaldehyde, 97%
  • 627-186-1
  • AKOS000478334
  • BB-0825
Show all 24 synonyms
  • Benzaldehyde, 4-iodo-
  • CHEMBL1877578
  • CS-W002179
  • DTXSID90164827
  • MFCD00039576
  • NIEBHDXUIJSHSL-UHFFFAOYSA-N
  • NSC 84301
  • NSC84301
  • RefChem:524237
  • SBB062822
  • SCHEMBL96636
  • SCHEMBL96637
  • STL284481
  • TYD-00381
  • orb2940197
  • p-iodobenzaldehyde

Structure identifiers

Canonical SMILES
O=Cc1ccc(I)cc1
Isomeric SMILES
C1=CC(=CC=C1C=O)I
InChI
InChI=1S/C7H5IO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKey
NIEBHDXUIJSHSL-UHFFFAOYSA-N
PubChem CID
96657

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-iodobenzaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-iodobenzaldehyde; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record