chempirical

Ferrocene

C10H10FeCAS 102-54-5186.03 g/mol

Open in Covalent MOL file
Fe2+HC−HC−

Properties

Molecular formula
C10H10Fe
Molar mass
186.03 g/mol
Exact mass
186.0132 Da
Density
1.49 g/mL
Melting point
173–174 °C
Boiling point
249 °C
logP
2.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
102-54-5
SMILES
[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIKey
KTWOOEGAPBSYNW-UHFFFAOYSA-N
InChI
InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2

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Names and synonyms

15 names · show all
  • Di-2,4-cyclopentadien-1-yliron
  • Dicyclopentadienyliron
  • Iron, bis(η5-2,4-cyclopentadien-1-yl)-
  • Iron bis(cyclopentadienide)
  • Bis(cyclopentadienyl)iron
  • Iron dicyclopentadienyl
  • Bis(η-cyclopentadienyl)iron
  • Di-π-cyclopentadienyl iron
  • Ferrotsen
  • Catane TM
  • Bis(η5-cyclopentadienyl)iron
  • NSC 2033
  • NSC 209798
  • NSC 44012
  • PLUTOcen G

Reactions

Work with Ferrocene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chromocene1271-24-557 % similar Nickelocene1271-28-957 % similar Cobaltocene1277-43-657 % similar Magnesocene1284-72-657 % similar Ruthenocene1287-13-457 % similar Tris(η5-2,4-cyclopentadien-1-yl)ytterbium1295-20-157 % similar Ferrocenecarboxaldehyde12093-10-648 % similar Vanadocene dichloride12083-48-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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