[2-(2-Fluorophenyl)-2-oxoethyl]malononitrile

Basic Information

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CAS Number

312307-38-3

Molecular Formula

C11H7FN2O

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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N#CC(CC(C1=CC=CC=C1F)=O)C#N

InChI

InChI=1S/C11H7FN2O/c12-10-4-2-1-3-9(10)11(15)5-8(6-13)7-14/h1-4,8H,5H2

InChIKey

NOUFLZSMHQHSHA-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Synonyms & References

English

2-(2-(2-fluorophenyl)-2-oxoethyl)malononitrile

MDL Number

MFCD28404602

FAQ

What are the physical and chemical properties of [2-(2-Fluorophenyl)-2-oxoethyl]malononitrile (CAS: 312307-38-3)?

[2-(2-Fluorophenyl)-2-oxoethyl]malononitrile is a crystalline solid with a molecular weight of approximately 226.14 g/mol. It has a low water solubility but is soluble in organic solvents such as acetone and dimethylformamide. This compound is known for its reactivity in nucleophilic addition reactions and can be used in various synthetic transformations.

How is [2-(2-Fluorophenyl)-2-oxoethyl]malononitrile (CAS: 312307-38-3) typically synthesized?

[2-(2-Fluorophenyl)-2-oxoethyl]malononitrile is usually synthesized via a multi-step process involving the condensation of 2-fluorophenyl acetylene with malononitrile. The reaction typically employs palladium(II) acetate as a catalyst, leading to a high yield of the desired product with good selectivity.

What industries use [2-(2-Fluorophenyl)-2-oxoethyl]malononitrile (CAS: 312307-38-3)?

[2-(2-Fluorophenyl)-2-oxoethyl]malononitrile is primarily used in the pharmaceutical and chemical manufacturing industries. It serves as a key intermediate in the synthesis of various organic compounds, particularly in the development of new drugs and materials.

What precautions should be taken when handling [2-(2-Fluorophenyl)-2-oxoethyl]malononitrile (CAS: 312307-38-3)?

When handling [2-(2-Fluorophenyl)-2-oxoethyl]malononitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, immediately clean up using absorbent materials and dispose of the waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.