3(2H)-Pyridazinone

Basic Information

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CAS Number

504-30-3

Molecular Formula

C4H4N2O

Molecular Weight

96.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

100.0 to 104.0 deg-C

Boiling Point

101°C/1.5mmHg

Density

1.28

Flash Point

144.9 oC

SMILES

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C1=CC(=O)NN=C1

InChI

InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)

InChIKey

AAILEWXSEQLMNI-UHFFFAOYSA-N

LogP

-0.23010000000000014

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

137

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MFCD00099605
W3G
UNII-UZ5DP4K4YQ
Z803153778
P1850
AKOS000320163
oxypyridazine
MFCD01646051
DTXSID90198440
NSC-21411
Q-102296
SY020182
Pyridazin-3(2H)-one
FT-0613557
2H-Pyridazin-3-one
1H-pyridazin-6-one
AKOS005207020
Pyridazine, 3-hydroxy-
2H-pyridazinone
3-oxo-2,3-dihydropyridazine
CS-D0990
J-513087
UZ5DP4K4YQ
STR06961
Pyridazinone
2,3-dihydropyridazin-3-one
CHEMBL3228881
3(2H)-Pyridazinone, >=97.0% (GC)
NSC21411
ZB1478
pyridazin-3 (2h)-one

MDL Number

MFCD00099605

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3(2H)-Pyridazinone (CAS: 504-30-3)?

3(2H)-Pyridazinone (CAS: 504-30-3) is a crystalline solid with a molecular weight of approximately 111.11 g/mol. It has limited water solubility, with a solubility of about 0.1 g/L at 25°C. It is relatively stable but can undergo ring-opening reactions under basic conditions. The compound is solid at room temperature and has a melting point around 215°C.

How is 3(2H)-Pyridazinone (CAS: 504-30-3) typically synthesized?

3(2H)-Pyridazinone (CAS: 504-30-3) is often synthesized via the condensation of 2-formylpyridine with hydrazine. The reaction typically occurs in the presence of a catalyst such as p-toluenesulfonic acid or hydrochloric acid. The yield is usually around 70-80%, and the product is isolated by recrystallization or column chromatography.

What industries use 3(2H)-Pyridazinone (CAS: 504-30-3)?

3(2H)-Pyridazinone (CAS: 504-30-3) finds applications in various industries. It is used in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. Additionally, it has applications in the polymer industry as a stabilizer, and in the semiconductor industry as a component in some photoresists. It also plays a role in the development of sensors and other analytical devices.

What precautions should be taken when handling 3(2H)-Pyridazinone (CAS: 504-30-3)?

When handling 3(2H)-Pyridazinone (CAS: 504-30-3), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and protective clothing. The compound should be handled in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up using appropriate absorbent materials and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.