Octylferrocene

Basic Information

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CAS Number

51889-44-2

Molecular Formula

C18H26Fe

Molecular Weight

298.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

SMILES

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CCCCCCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe]

InChI

InChI=1S/C13H21.C5H5.Fe/c1-2-3-4-5-6-7-10-13-11-8-9-12-13;1-2-4-5-3-1;/h8-9,11-12H,2-7,10H2,1H3;1-5H;

InChIKey

DRTCLTAOSAKXCN-UHFFFAOYSA-N

LogP

5.161200000000006

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

112

Synonyms & References

English

Octylferrocene
51889-44-2
n-Octylferrocene
OCTYL-FERROCENE
Cyclopentadienyl(octylcyclopentadienyl)-iron

MDL Number

MFCD13194973

Customs Code

2942000000

FAQ

What are the physical and chemical properties of Octylferrocene (CAS: 51889-44-2)?

Octylferrocene (CAS: 51889-44-2) is a yellow crystalline solid with a molecular weight of approximately 236.29 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and toluene. Octylferrocene is relatively stable but can undergo oxidation under certain conditions. It is used in organometallic chemistry and as an electron donor in catalysis.

How is Octylferrocene (CAS: 51889-44-2) typically synthesized?

Octylferrocene (CAS: 51889-44-2) is typically synthesized by the alkylation of ferrocene with n-octyl lithium in an inert solvent like hexane. The reaction is carried out at low temperatures to maintain reactivity. This method provides good yield and selectivity, making it a common approach in synthesis.

What industries use Octylferrocene (CAS: 51889-44-2)?

Octylferrocene (CAS: 51889-44-2) finds application in various industries. It is used as a ligand in catalysis, particularly in homogeneous catalysis for olefin polymerization. It also has applications in the development of sensors, semiconductors, and as an electron donor in transition metal complex synthesis.

What precautions should be taken when handling Octylferrocene (CAS: 51889-44-2)?

When handling Octylferrocene (CAS: 51889-44-2), it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up carefully using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.