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

Basic Information

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CAS Number

89324-16-3

Molecular Formula

C6H4N2O

Molecular Weight

109.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

White to Yellow Solid

Density

1.33±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=CNC=C(C1=O)C#N

InChI

InChI=1S/C6H4N2O/c7-3-5-4-8-2-1-6(5)9/h1-2,4H,(H,8,9)

InChIKey

ZSGWFOMHWZIAEW-UHFFFAOYSA-N

LogP

0.6833199999999999

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

241

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H331 Toxic if inhaled
Acute toxicity, inhalation

Synonyms & References

English

4-oxo-1,4-dihydropyridine-3-carbonitrile
AKOS006309976
FT-0630045
4-hydroxy-3-cyanopyridine
Nicotinonitrile, 1,4-dihydro-4-oxo- (6CI)
ZSGWFOMHWZIAEW-UHFFFAOYSA-N
Nicotinonitrile,4-hydroxy-(7ci)
MB01597
AKOS005199083
CS-0356768
MFCD00955749
4-oxo-1H-pyridine-3-carbonitrile
AMY27777
4-Hydroxynicotinonitrile
100367-56-4
EN300-6222118
SCHEMBL2928918
4-hydroxy-nicotinonitrile
AS-37880
Nicotinonitrile, 4-hydroxy- (7CI)
4-Oxo-1 pound not4-dihydro-pyridine-3-carbonitrile
MFCD11046297
89324-16-3
4-HYDROXYPYRIDINE-3-CARBONITRILE
SY024984
4-oxo-1H-pyridine-3-carbonitrile;Nicotinonitrile, 4-hydroxy-
J-515525
SCHEMBL13223327
CS-0147706
BCP33381
SB53515

MDL Number

MFCD00955749

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4-Oxo-1,4-dihydro-3-pyridinecarbonitrile (CAS: 89324-16-3)?

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.

How is 4-Oxo-1,4-dihydro-3-pyridinecarbonitrile (CAS: 89324-16-3) typically synthesized?

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.

What industries use 4-Oxo-1,4-dihydro-3-pyridinecarbonitrile (CAS: 89324-16-3)?

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.

What precautions should be taken when handling 4-Oxo-1,4-dihydro-3-pyridinecarbonitrile (CAS: 89324-16-3)?

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.