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Molecule record

1-iodo-4-nitrobenzene

C6H4INO2

249.01 g/mol

Loading structure

Molecular properties

Formula
C6H4INO2
Molar mass
249.01 g·mol−1
Exact mass
248.9287 Da
5
PubChem CID
12495

Functional groups

Aromatic ring
Aryl halide
Nitro compound

Physical properties

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

Common names and synonyms

  • 1-iodo-4-nitro-benzene
  • 211-272-7
  • 4-IODONITROBENZENE
  • 4-Nitroiodobenzene
  • 4-iodo-1-nitrobenzene
  • 4Iodonitrobenzene
  • 4Nitroiodobenzene
  • 636-98-6
Show all 24 synonyms
  • AI3-08878
  • Benzene, 1-iodo-4-nitro-
  • Benzene, 1iodo4nitro
  • DTXCID1044019
  • DTXSID7060914
  • EINECS 211-272-7
  • InChI=1/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4
  • NSC 9794
  • RefChem:76091
  • SCCCFNJTCDSLCY-UHFFFAOYSA-N
  • p-Iodonitrobenzene
  • p-Nitroiodobenzene
  • p-Nitrophenyl iodide
  • pIodonitrobenzene
  • pNitroiodobenzene
  • pNitrophenyl iodide

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1ccc(I)cc1
Isomeric SMILES
C1=CC(=CC=C1[N+](=O)[O-])I
InChI
InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKey
SCCCFNJTCDSLCY-UHFFFAOYSA-N
PubChem CID
12495

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 1-iodo-4-nitrobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-iodo-4-nitrobenzene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record