FERROCENE

PRODUCT IDENTIFICATION

CAS NO. 102-54-5

FERROCENE

EINECS NO. 203-039-3
FORMULA (CH2)5Fe(CH2)5
MOL WT. 186.04
H.S. CODE  

TOXICITY

Oral rat LD50: 1320 mg/kg
SYNONYMS Bis(cyclopentadienyl) iron; Biscyclopentadienyliron;
Dicyclopentadienyl iron; Ferrotsen; Iron bis(cyclopentadiene); Iron dicyclopentadienyl; Di-2,4-cyclopentadien-1-yliron; Ferrocene; Ferrotsen; Catane; Other RN.: 51364-12-6, 55404-68-7, 856324-92-0, 856780-21-7

SMILES

C1=C[CH-]C=C1.C=1C=C[CH-]C1.[Fe+2]

CLASSIFICATION

Catalysis, Metallocene

EXTRA NOTES

Antiknock additive for gasoline

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE yellow to orange powder
MELTING POINT 173 - 174 C
BOILING POINT

249 C

SPECIFIC GRAVITY  
SOLUBILITY IN WATER Insoluble

SOLVENT SOLUBILITY

Soluble in alcohol, ether and benzene
VAPOR DENSITY  
log Pow 3.28 (Octanol-water)
OH RATE CONSTANT 3.81E-10 (cm3/molecule-sec at 25 C Atmospheric)
AUTOIGNITION

 

NFPA RATINGS  

REFRACTIVE INDEX

 
FLASH POINT  
STABILITY Stable under ordinary conditions

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Material Safety Data Sheet

Google Scholar Search

http://www.periodicvideos.com/
The molecular video (University of Nottingham)

http://ideas.repec.org/
This paper reports catalytic effects of ferrocene on bonding, optical and structural properties of diamond-like carbon (DLC) thin films grown on silicon and quartz substrates by microwave surface-wave plasma chemical vapor deposition. For film deposition, helium and methane gases were used as plasma source. Bonding, optical and structural properties of the DLC films were measured both with and without using ferrocene as a catalyst. The ferrocene content in the DLC was confirmed by X-ray spectroscopy (XPS) measurement. The optical band gap decreased from 2.7 eV (without ferrocene) to 1.6 eV (with ferrocene). Raman spectra of the ferrocene content film shows that the G-peak was more pronounced compared to the film without ferrocene. Results suggest that appropriate concentration of ferrocene in DLC film helps to reduce the optical band gap because of ferrocene-induced graphitization.

GENERAL DESCRIPTION:
Ferrocene, yellow to orange crystal melting at 173 C, is an organometallic compound of sandwich structure. It has two five membered carbon rings which are parallel, with the iron ion sandwiched between them. Its systematic name is Di-[]-Cyclopentadienyl Iron(II) or Bis(5-Cyclopentadienyl) Iron. The bonding is between pi orbitals on the rings and d-orbitals on the Fe2+ ion. It is used as a combustion control additive in fuels, antiknock agent in gasoline, and for heat stabilization in greases and plastics. It is used as a catalyst for the synthesis of ammonia. Ferrocene derivatives, can be described as a multi-electron transfer, are useful for following fields:

  • Stating material for more coordination of organometallic-complexes
  • Gasoline additive to prevent "knocking" in motors
  • Redox mediators in biosensor
  • Catalysts for the oxidative organic synthesis
  • Molecular chemistry
  • Disease diagnosis and treatment
  • Water treatment
  • Photolysis chemistry
SALES SPECIFICATION

APPEARANCE

yellow to orange powder

CONTENT

99.0% min

FREE-Fe

100ppm max

INSOLUBLES

0.1% max (in benzene)

WATER

0.1% max

TRANSPORTATION
PACKING 25kgs in drum
HAZARD CLASS 4.1 (Packing Group: II)
UN NO. 1325
SAFETY INFORMATION
Hazard Symbols: F XN, Risk Phrases: 11-22, Safety Phrases: 16

GENERAL DESCRIPTION OF METALLOCENE

Metallocene is a compound consisting of parallel ring system ligand bound to a metal. Ligand, in organometallic chemistry, is a molecule that donates or accepts a pair of electrons to form a coordinate covalent bond with the central metal atom of a coordination complexes and organometallic compounds; can be further distinguished by the orbitals used in bond formation. There can be numerous organometallic coordination compounds distinguished by number of cyclopentadienyl rings (with or without substituents) bonded to a central transition-metal atoms and the types of transition-metals and the type of the bridge. Metals known to form metallocene complexes are titanium, zirconium, hafnium, vanadium, chromium, molybdenum, tungsten, manganese, iron, ruthenium, osmium, cobalt, rhodium, and nickel. Metallocenes possess the transition-metal atoms whose bonding involves overlap of ns, (n - 1)d, and np orbitals of the metal with molecular orbitals of appropriate symmetry of each aromatic (bis-cyclopentadienyl) rings. The commonest metallocene is ferrocene, yellow to orange crystal melting at 173 C, is an organometallic compound of sandwich structure. It has two five membered carbon rings which are parallel, with the iron ion sandwiched between them. The equivalent bonding of all 5 carbon atoms of each cyclopentadienyl ring in ferrocene is denoted as eta-5.  Its systematic name is Di-[]-Cyclopentadienyl Iron(II) or Bis(5-Cyclopentadienyl) Iron. The bonding is between pi orbitals on the rings and d-orbitals on the Fe2+ ion. It is used as a combustion control additive in fuels, antiknock agent in gasoline, and for heat stabilization in greases and plastics. It is used as a catalyst for the synthesis of ammonia. Metallocenes having catalytic site in systematic molecular structure are used as polymerization catalyst to produce uniform polymer with unique structures and physical properties. Intensive study of metal-carbon bonds have been developed in the field of electrochemical techniques, high-temperature chemistry, photolysis chemistry, structural chemistry, organic light-emitting devices, biochemistry and pharmaceutical manufacturing.
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