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Ferrocene

Organometallic compound: Fe(II) sandwiched between two cyclopentadienyl ringsNames Preferred IUPAC nameFerroceneOther names Dicyclopentadienyl ironBis(η-cyclopentadienyl)ironIron(II) cyclopentadienideIdentifiers CAS Number102-54-5ChEBICHEBI:30672ChemSpider7329ECHA InfoCard100.002.764PubChemCID11985121UNIIU96PKG90JQUN number1325 CompTox Dashboard(EPA)DTXSID9025326InChIInChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2Key: KTWOOEGAPBSYNW-UHFFFAOYSA-NInChI=1/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2Key: KTWOOEGAPBSYNW-UHFFFAOYAZSMILES[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]Properties Chemical formulaFe(C5H5)2 Molar mass186.035 g·mol Appearance light orange powder Odorcamphor-like Density1.107 g/cm (0 °C (32 °F; 273 K))1.490 g/cm (20 °C (68 °F; 293 K))Melting point175 °C (347 °F; 448 K) Boiling point249 °C (480 °F; 522 K) Solubility in water0.0001 g/L (20 °C (68 °F; 293 K)) Solubility in ethanolsoluble Solubility in benzenesoluble Solubility in diethyl ethersoluble Solubility in nitric acidsoluble (in dilute) log P3.711 (22 °C (72 °F; 295 K)) Vapor pressure1 Pa (0.00015 psi) (25.00 °C; 77.00 °F (298.15 K))7.5 Pa (0.0011 psi) (47 °C; 116 °F (320 K))80 Pa (0.012 psi) (77 °C; 170 °F (350 K))1 kPa (0.15 psi) (117 °C; 242 °F (390 K)12.3 kPa (1.8 psi) (167 °C; 332 °F (440 K))Electrical resistivity10 Ω⋅mBand gap1.22 eVStructure Point groupD5h (eclipsed)D5d (staggered)Molecular shapeSandwich structure with iron centre Hazards GHS labelling: PictogramsSignal wordDangerHazard statementsH228, H302+H332, H360, H373, H401, H410Precautionary statementsP201, P202, P210, P240, P241, P260, P264, P270, P271, P273, P280, P301+P312+P330, P304+P340+P312, P308+P313, P370+P378, P391, P405, P501NFPA 704 (fire diamond) 220Threshold limit value (TLV)10 mg/m (TWA) Lethal dose or concentration (LD, LC): LD50 (median dose)1320 mg/kg (oral, rat)>3000 mg/kg (dermal, rat)NIOSH (US health exposure limits): PEL (Permissible)TWA 15 mg/m (total)TWA 5 mg/m (resp)REL (Recommended)TWA 10 mg/m (total)TWA 5 mg/m (resp)IDLH (Immediate danger)N.D. Related compounds Other anionsFerrocenium tetrafluoroborateFerrocenium hexafluorophosphateRelated compounds1Fe-LSDMetalloceneBis(benzene)chromium[1,1′-Bis(diphenylphosphino)ferrocene] palladium(II) dichlorideExcept where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).N verify ( ?)

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