Ferrocene, (1,1-dimethylethyl)-

Basic Information

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CAS Number

1316-98-9

Molecular Formula

C14H18Fe

Molecular Weight

242.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

96 °C/1 mmHg

Water Solubility

Not miscible or difficult to mix in water.

Refractive Index

n20/D 1.579(lit.)

Vapor Pressure

6.5±0.1 mmHg at 25°C

SMILES

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

InChI

InChIKey

DOUYOVFHQKVSSJ-UHFFFAOYSA-N

LogP

3.45680

Complexity

142

Safety Information

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Stability

Stable, but may be air sensitive. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

tert-Butylferrocene
t-butylferrocene
T-Butyferrocene
t-Butylferrocene,min.
Tert-Butylferrocene tert
Tert-Butylferrocene tert-C4H9C5H4FeC5H5 F.W.242.15
Ferrocene,tert-butyl- (8CI)
Iron, (tert-butylcyclopentadienyl)cyclopentadienyl-(6CI,7CI)
NSC 151953

MDL Number

MFCD00058729

FAQ

What are the physical and chemical properties of Ferrocene, (1,1-dimethylethyl)- (CAS: 1316-98-9)?

Ferrocene, (1,1-dimethylethyl)- (CAS: 1316-98-9) is a crystalline compound with a molecular weight of approximately 170.25 g/mol. It is insoluble in water but soluble in organic solvents like benzene, toluene, and dichloromethane. The compound is known for its strong π-complexation and reactivity with various transition metals. It is stable under normal conditions but can undergo dimerization at high temperatures or in the presence of strong oxidizing agents.

How is Ferrocene, (1,1-dimethylethyl)- (CAS: 1316-98-9) typically synthesized?

Ferrocene, (1,1-dimethylethyl)- (CAS: 1316-98-9) is typically synthesized through the reaction of cyclopentadiene with dimethyl ether in the presence of a transition metal catalyst, such as iron(II) chloride. The method involves a metathesis reaction to form the complex. This synthesis yields a high selectivity and purity, with a theoretical yield of up to 90%.

What industries use Ferrocene, (1,1-dimethylethyl)- (CAS: 1316-98-9)?

Ferrocene, (1,1-dimethylethyl)- (CAS: 1316-98-9) is widely used in the pharmaceutical industry for the synthesis of metal complexes, in the polymer industry for the production of conductive polymers, in the sensor industry for gas detection, and in the semiconductor industry for electronic devices. Its unique properties make it suitable for various applications in these fields.

What precautions should be taken when handling Ferrocene, (1,1-dimethylethyl)- (CAS: 1316-98-9)?

When handling Ferrocene, (1,1-dimethylethyl)- (CAS: 1316-98-9), it is essential to wear appropriate personal protective equipment (PPE), such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to prevent inhalation of vapors. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated before resuming work. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.