Cyanoferrocene

Basic Information

View in Editor

CAS Number

1273-84-3

Molecular Formula

C11FeN

Molecular Weight

201.97 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

107-108℃

SMILES

View in Editor

N#C[C-]12C3=C4[Fe+2]5678923(C1=C45)[C-]1C6=C8C9=C71

InChI

InChI=1S/H3N/h1H3

InChIKey

QGZKDVFQNNGYKY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Synonyms & References

English

Cyclopentadienecarbonitrile, cyclopentadienyliron deriv.
Ferrocenyl cyanide
Ferrocenylnitrile
Ferrocene, cyano-
Cyanoferrocene
CYANOFERROCENE
Cyclopentadienecarbonitrile,cyclopentadienyliron deriv.
Ferrocene,cyano

MDL Number

MFCD02092573

FAQ

What are the physical and chemical properties of Cyanoferrocene (CAS: 1273-84-3)?

Cyanoferrocene (CAS: 1273-84-3) is a dicyano derivative of ferrocene. It is a crystalline solid with a molecular weight of approximately 214.11 g/mol. This compound has limited solubility in organic solvents such as benzene and toluene. It is known for its low reactivity in comparison to other ferrocene derivatives, making it useful in various synthetic applications.

How is Cyanoferrocene (CAS: 1273-84-3) typically synthesized?

Cyanoferrocene (CAS: 1273-84-3) can be synthesized by the reaction of ferrocene with cyanogen chloride (CNCl) in the presence of a base like pyridine. This process yields a 90% yield of the target compound with good selectivity. The reaction is conducted under mild conditions to avoid degradation of the ferrocene core.

What industries use Cyanoferrocene (CAS: 1273-84-3)?

Cyanoferrocene (CAS: 1273-84-3) is used in several industries, particularly in the pharmaceuticals sector for the development of anticancer agents. It also finds applications in the polymer industry for modifying polymer properties, in sensors for its unique redox behavior, and in semiconductors due to its electronic properties.

What precautions should be taken when handling Cyanoferrocene (CAS: 1273-84-3)?

When handling Cyanoferrocene (CAS: 1273-84-3), it is essential to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. This compound should be handled in a well-ventilated fume hood to minimize exposure. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.