1-Chlorocarbonylferrocene

Basic Information

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CAS Number

1293-79-4

Molecular Formula

C12H8Cl2FeO2

Molecular Weight

310.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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[CH]1[CH][CH][C]([CH]1)C(=O)Cl.[CH]1[CH][CH][C]([CH]1)C(=O)Cl.[Fe]

InChI

InChI=1S/2C6H4ClO.Fe/c2*7-6(8)5-3-1-2-4-5;/h2*1-4H;

InChIKey

DPPPVFXCFVGRTG-UHFFFAOYSA-N

LogP

2.3116000000000003

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

94.7

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

1293-79-4
CHLOROCARBONYL FERROCENE
Chlorocarbonyl ferrocene
Ferrocenoyl chloride
1-Chlorocarbonylferrocene
chloro(cyclopenta-2,4-dien-1-ylidene)methanolate,cyclopenta-1,3-diene,iron(2+)
Ferrocenecarbonylchloride (8CI)
Iron, [(chloroformyl)cyclopentadienyl]cyclopentadienyl-(6CI,7CI)
(Chlorocarbonyl)ferrocene
1-Ferrocenecarbonyl chloride
Ferrocene monocarboxylic acid chloride
Ferrocenecarboxylic acid chloride
Ferrocenylcarbonylchloride
Monochlorocarbonylferrocene
Ferrocenecarbonyl chloride
Ferrocene (Chlorocarbonyl)
Ferrocene Carboxyl Chloride

MDL Number

MFCD00045454

FAQ

What is 1-Chlorocarbonylferrocene (CAS: 1293-79-4)?

1-Chlorocarbonylferrocene (CAS: 1293-79-4) is a complex organic compound derived from ferrocene with a chlorocarbonyl substituent attached to one of the cyclopentadienyl rings. It is characterized by its unique electronic and magnetic properties due to the presence of the organometallic ferrocene core and the chlorocarbonyl group.

What are the main uses of 1-Chlorocarbonylferrocene (CAS: 1293-79-4)?

1-Chlorocarbonylferrocene (CAS: 1293-79-4) is primarily used in the synthesis of other organic compounds, particularly in the development of new materials and in academic research due to its unique electronic and magnetic properties. It is also explored for potential applications in catalysis and as a spectroscopic probe.

Is 1-Chlorocarbonylferrocene (CAS: 1293-79-4) safe?

1-Chlorocarbonylferrocene (CAS: 1293-79-4) is generally considered safe under controlled laboratory conditions when handled properly. However, it should be used with caution due to its reactive nature. Proper protective equipment and ventilation should be utilized to prevent inhalation or skin contact. Ingestion is highly discouraged, and disposal should be done according to local regulations.

How should 1-Chlorocarbonylferrocene (CAS: 1293-79-4) be stored?

1-Chlorocarbonylferrocene (CAS: 1293-79-4) should be stored in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to air and moisture. Storage at temperatures below 25°C is recommended to maintain its stability and reactivity. Regularly check containers for leaks or damage and handle with care to avoid spills or contamination.