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Molecule record

Ferrocene

C10H10Fe

186.03 g/mol

2D structure for Ferrocene

Molecular properties

Formula
C10H10Fe
Molar mass
186.03 g·mol−1
Exact mass
186.0132 Da
6
0
0
0.00 Ų
CAS
102-54-5
PubChem CID
10219726

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Aromatic ring

Physical properties

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

Common names and synonyms

  • 102-54-5
  • 203-039-3
  • CHEBI:30672
  • Catane
  • DI-PI-CYCLOPENTADIENYL IRON
  • DTXCID101781909
  • DTXSID9025326
  • Di(pi-cyclopentadienyl)iron
Show all 21 synonyms
  • Di-2,4-cyclopentadien-1-yliron
  • Dicyclopentadienyl iron
  • Dicyclopentadienyliron
  • Ferrotsen
  • Iron bis(cyclopentadiene)
  • Iron bis(cyclopentadienide)
  • Iron dicyclopentadienyl
  • Iron, bis(eta5-2,4-cyclopentadien-1-yl)-
  • NSC-2033
  • RefChem:389371
  • U96PKG90JQ
  • bis(Cyclopentadienyl)iron
  • bis(eta(5)-cyclopentadienyl)iron;bis(eta(5)-cyclopentadienyl)iron(II);ferrocene

Structure identifiers

Canonical SMILES
C1=C[CH]C=C1.C1=C[CH]C=C1.[Fe]
Isomeric SMILES
C1=C[CH]C=C1.C1=C[CH]C=C1.[Fe]
InChI
InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;
InChIKey
DFRHTHSZMBROSH-UHFFFAOYSA-N
PubChem CID
10219726

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for Ferrocene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Ferrocene; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record