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
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
Storage
Store below +30 °C
Color Form
Orange, crystalline solid;Orange needles from methanol or ethanol;
Complexity
11.6
Covalently-Bonded Unit Count
3
Decomposition
When heated to decomposition it emits acrid smoke and irritating fumes.;
Defined Atom Stereocenter Count
0
EC Number
203-039-3
Exact Mass
186.013186
H-Bond Acceptor
2
Heavy Atom Count
11
ICSC Number
1512
LogP
2.63090
MDL Number
MFCD00001427
Monoisotopic Mass
186.013186
Odor
Camphor-like;
Other Experimental
Sublimes above 100 deg C; dissolves in dilute nitric & concentrated sulfuric acids forming a deep red solution with blue fluorescence; molecule is diamagnetic & the dipole moment is effectively zero; volatile in steam;Iron content: 29.4-30.6% Resists pyrolysis at 400 deg C. The first compound shown to have the "sandwich" structure found in certain types of metallocene molecules.;Triple point 183 deg C; Heat of fusion at 175 deg C is 17.8 kJ/mol; Heat of sublimation at 25 deg C is 70.2 kJ/mol;
Refractive Index
1.4465 (20ºC)
Rotatable Bond Count
0
RTECS Number
LK0700000
Stability
Stable at room temperature. Incompatible with strong oxidizing agents. Highly flammable.
Topological Polar Surface Area
0 Ų
UNII
U96PKG90JQ
UN Number
1325
Vapor Pressure
0.03 mm Hg ( 40 °C)
