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4-Oxo-1,4-dihydro-3-pyridinecarbonitrile(CAS: 89324-16-3)

4-Oxo-1,4-dihydro-3-pyridinecarbonitrile
CAS Number

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Basic Information

Molecular Formula
C6H4N2O
Molecular Weight
109.13 g/mol
Physical State
White to Yellow Solid

Physical Properties

Density
1.33±0.1 g/cm3 (20 ºC 760 Torr),

Chemical Identifiers

SMILES
C1=CNC=C(C1=O)C#N
InChIKey
ZSGWFOMHWZIAEW-UHFFFAOYSA-N

Database References

MDL Number
MFCD00955749

FAQ

4-Oxo-1,4-dihydro-3-pyridinecarbonitrile is a crystalline solid with a molecular weight of 186.17 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and acetonitrile. Chemically, it is relatively stable but can undergo hydrolysis under basic conditions. It reacts readily with nucleophiles and is often used in organic synthesis.
4-Oxo-1,4-dihydro-3-pyridinecarbonitrile can be synthesized via a multistep process starting from 3-pyridinecarboxaldehyde. In one method, the aldehyde is treated with a nitrating agent in the presence of a suitable catalyst to form the nitrile. Another approach involves the condensation of an appropriate pyridine derivative with an acrylonitrile followed by a dehydrogenation step. Yields and selectivity are typically good under controlled conditions.
4-Oxo-1,4-dihydro-3-pyridinecarbonitrile is primarily used in the pharmaceutical and organic synthesis industries. It serves as a valuable intermediate for the preparation of various pharmaceuticals and has applications in the development of new materials, particularly in the areas of sensors and semiconductors.
Proper handling of 4-Oxo-1,4-dihydro-3-pyridinecarbonitrile requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to minimize exposure. In case of spill, immediately clean up with appropriate absorbent materials and ensure proper disposal. Always refer to the safety data sheet (SDS) for detailed information on safe handling and disposal.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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