CHEBI:30672 - ferrocene

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ChEBI Name ferrocene
ChEBI ID CHEBI:30672
Definition A bis(η5-cyclopentadienyl)metal(II) having Fe(II) as the metal(II) species. The parent of the class of ferrocenes.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H10Fe
Net Charge 0
Average Mass 186.03140
Monoisotopic Mass 186.01319
InChI InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;
InChIKey DFRHTHSZMBROSH-UHFFFAOYSA-N
SMILES C12C3C4C5C1[Fe]23451234C5C1C2C3C45
Roles Classification
Chemical Role(s): fuel additive
Any additive that enhances the efficiency of fuel.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ferrocene (CHEBI:30672) has role fuel additive (CHEBI:62803)
ferrocene (CHEBI:30672) is a bis(η5-cyclopentadienyl)metal(II) (CHEBI:51002)
ferrocene (CHEBI:30672) is a ferrocenes (CHEBI:51005)
Incoming (dimethylcarbamoyl)ferrocene (CHEBI:30675) has parent hydride ferrocene (CHEBI:30672)
1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid (CHEBI:48793) has parent hydride ferrocene (CHEBI:30672)
1,1'-bis(diphenylphosphanyl)ferrocene (CHEBI:30743) has parent hydride ferrocene (CHEBI:30672)
1,1'-dimethylferrocene (CHEBI:30739) has parent hydride ferrocene (CHEBI:30672)
N-(2-ferrocenylethyl)maleimide (CHEBI:30735) has parent hydride ferrocene (CHEBI:30672)
ethylferrocene (CHEBI:30738) has parent hydride ferrocene (CHEBI:30672)
ferrocenecarboxylic acid (CHEBI:30674) has parent hydride ferrocene (CHEBI:30672)
IUPAC Names
bis(η5-cyclopentadienyl)iron
bis(η5-cyclopentadienyl)iron(II)
ferrocene
Synonyms Sources
[Fe(η5-C5H5)2] IUPAC
[FeCp2] MolBase
bis(cyclopentadienyl)iron NIST Chemistry WebBook
bis(η5-2,4-cyclopentadien-1-yl)iron NIST Chemistry WebBook
biscyclopentadienyliron ChemIDplus
di(π-cyclopentadienyl)iron NIST Chemistry WebBook
di-2,4-cyclopentadien-1-yliron ChemIDplus
dicyclopentadienyl iron ChemIDplus
Dicyclopentadienyleisen ChEBI
Ferrocen ChEBI
ferrocène ChEBI
iron bis(cyclopentadiene) ChemIDplus
iron bis(cyclopentadienide) ChemIDplus
iron dicyclopentadienyl ChemIDplus
Manual Xrefs Databases
740 MolBase
Ferrocene Wikipedia
View more database links
Registry Numbers Types Sources
102-54-5 CAS Registry Number ChemIDplus
102-54-5 CAS Registry Number NIST Chemistry WebBook
3385 Gmelin Registry Number Gmelin
6609436 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17455192 PubMed citation Europe PMC
21270987 PubMed citation Europe PMC
21338333 PubMed citation Europe PMC
21428900 PubMed citation Europe PMC
Last Modified
21 November 2011