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Molecule record

1-ethyl-3-iodobenzene

C8H9I

232.06 g/mol

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Molecular properties

Formula
C8H9I
Molar mass
232.06 g·mol−1
Exact mass
231.9749 Da
4
PubChem CID
14534452

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-ethyl-3-iodo-benzene
  • 19164-77-3
  • 3-Iodoethylbenzene
  • 963-198-6
  • AKOS009319828
  • Benzene, 1-ethyl-3-iodo-
  • CS-0358163
  • DTXCID10512164
Show all 23 synonyms
  • DTXSID80561386
  • E78026
  • EN300-206175
  • F750485
  • FS-4473
  • MFCD11183303
  • RefChem:75741
  • SCHEMBL15352359
  • SCHEMBL16961843
  • SCHEMBL172930
  • SCHEMBL2154287
  • SCHEMBL694144
  • SCHEMBL695582
  • SY073869
  • UAA16477

Structure identifiers

Canonical SMILES
CCc1cccc(I)c1
Isomeric SMILES
CCC1=CC(=CC=C1)I
InChI
InChI=1S/C8H9I/c1-2-7-4-3-5-8(9)6-7/h3-6H,2H2,1H3
InChIKey
XSMZGZMBNXKCBW-UHFFFAOYSA-N
PubChem CID
14534452

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-ethyl-3-iodobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-ethyl-3-iodobenzene; 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