CHEBI:30672 - ferrocene

ChEBI IDCHEBI:30672
ChEBI Nameferrocene
Stars
DefinitionA bis(η5-cyclopentadienyl)metal(II) having Fe(II) as the metal(II) species. The parent of the class of ferrocenes.
Last Modified21 November 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H10Fe
Net Charge0
Average Mass186.035
Monoisotopic Mass186.01319
SMILES[CH]12[CH]3[CH]4[CH]5[CH]1[Fe]23451678[CH]2[CH]1[CH]6[CH]7[CH]28
InChIInChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;
InChIKeyDFRHTHSZMBROSH-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
fuel additive  Any additive that enhances the efficiency of fuel.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(dimethylcarbamoyl)ferrocene (CHEBI:30675) has parent hydride ferrocene (CHEBI:30672)
N-(2-ferrocenylethyl)maleimide (CHEBI:30735) 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)
1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid (CHEBI:48793) 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  Source
bis(cyclopentadienyl)ironNIST Chemistry WebBook
biscyclopentadienylironChemIDplus
bis(η5-2,4-cyclopentadien-1-yl)ironNIST Chemistry WebBook
di-2,4-cyclopentadien-1-ylironChemIDplus
DicyclopentadienyleisenChEBI
dicyclopentadienyl ironChemIDplus
Manual XrefsDatabases
740MolBase
FerroceneWikipedia
Registry NumbersSources
Gmelin:3385Gmelin
Reaxys:6609436Reaxys
CAS:102-54-5ChemIDplus
CAS:102-54-5NIST Chemistry WebBook
Citations