Ferrocene

Catalog Number	ACM102545-1
CAS	102-54-5
Structure
Description	Ferrocene is an organometallic compound with the formula Fe(C5H5)2. It is the prototypical metallocene, a type of organometallic chemical compound consisting of two cyclopentadienyl rings bound on opposite sides of a central metal atom. Such organometallic compounds are also known as sandwich compounds. The rapid growth of organometallic chemistry is often attributed to the excitement arising from the discovery of ferrocene and its many analogues.
Synonyms	Bis(eta-cyclopentadienyl) iron
IUPAC Name	Cyclopenta-1,3-diene;iron(2+)
Molecular Weight	186.03
Molecular Formula	C10Fe
Canonical SMILES	[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
InChI	InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
InChI Key	KTWOOEGAPBSYNW-UHFFFAOYSA-N
Boiling Point	249 °C
Melting Point	172-174 °C
Flash Point	100 °C
Purity	95%+
Density	1.49 g/cm³
Solubility	Practically insoluble in water
Appearance	Orange crystal
Application	Ferrocene is used as a catalyst for vulcanization, acceleration, and polymerization, as a chemical intermediate for polymeric compounds such as high temperature polymers, as an antiknock additive for gasoline, as a coating for missiles and satellites, and as a high-temperature lubricant.
Storage	Store below +30 °C
Complexity	11.6
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
EC Number	203-039-3
Exact Mass	186.013186
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
MDL Number	MFCD00001427
Monoisotopic Mass	186.013186
Odor	Camphor-like;
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų