CAS 102-54-5 Ferrocene - Materials / Alfa Chemistry

NAVIGATION

Ferrocene

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Catalog Number

ACM102545-1

CAS Number

102-54-5

Product Name

Ferrocene

Structure

Category

Polymerization Reagents

Synonyms

Bis(eta-cyclopentadienyl) iron

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.

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

Color/Form

Orange, crystalline solid;Orange needles from methanol or ethanol;

Complexity

11.6

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

203-039-3

Exact Mass

186.013186

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

ICSC Number

1512

Log P

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;

Packaging

100, 500 g

Refractive Index

1.4465 (20ºC)

Rotatable Bond Count

RTECS Number

LK0700000

Stability

Stable at room temperature. Incompatible with strong oxidizing agents. Highly flammable.

Storage Conditions

Flammables area

Topological Polar Surface Area