6-Phenyl-3(2H)-pyridazinone

Basic Information

View in Editor

CAS Number

2166-31-6

Molecular Formula

C10H8N2O

Molecular Weight

172.19 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

Basic Physical Properties

Melting Point

201.0 to 205.0 deg-C

Boiling Point

403.8℃ at 760 mmHg

Density

1.2

Flash Point

198°C

Refractive Index

1.623

SMILES

View in Editor

C1=CC=C(C=C1)C2=NNC(=O)C=C2

InChI

InChI=1S/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)

InChIKey

IJUIPRDMWWBTTQ-UHFFFAOYSA-N

LogP

1.4368999999999998

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

262

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

6-phenylpyridazinone
UNII-4XCL934PMP
6-Phenylpyridazin-3(2H)-one
NSC13399
Z432063060
NSC-13399
NCI13399
MFCD00114953
4XCL934PMP
IJUIPRDMWWBTTQ-UHFFFAOYSA-N
HMS2488F10
EN300-50491
EU-0029943
FT-0684004
3-Hydroxy-6-phenylpyridazine
W-206664
SR-01000631909-1
SY023992
6-phenyl-pyri-dazin-3(2H)-one
SMR000132436
6-Phenylpyridazin-3 (2H)-one
AC-907/30063009
STR05617
2166-31-6
CHEMBL1536043
NS00026934
6-phenyl-3-pyridazinone
3(2H)-Pyridazinone,6-phenyl-
NCGC00013155-02
ChemDiv2_002860
AKOS002810644

MDL Number

MFCD00114953

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-Phenyl-3(2H)-pyridazinone (CAS: 2166-31-6)?

6-Phenyl-3(2H)-pyridazinone has a crystalline form with a molecular weight of approximately 195.19 g/mol. It is slightly soluble in water and is non-volatile. The compound is relatively stable, but it can undergo hydrolysis under basic conditions. It has a pKa of about 4.5, indicating some acidity.

How is 6-Phenyl-3(2H)-pyridazinone (CAS: 2166-31-6) typically synthesized?

6-Phenyl-3(2H)-pyridazinone is commonly synthesized by the condensation of 2-chloro-3-phenylpyridine with hydrazine hydrate. The reaction occurs in an aqueous medium at room temperature, with a yield of around 80%. The process is catalyzed by a small amount of sodium hydroxide to facilitate the reaction.

What industries use 6-Phenyl-3(2H)-pyridazinone (CAS: 2166-31-6)?

6-Phenyl-3(2H)-pyridazinone is primarily used in the pharmaceutical industry for its potential as a drug intermediate. It also finds applications in the synthesis of organic polymers, where it serves as a monomer or a cross-linking agent. Additionally, it is utilized in the development of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 6-Phenyl-3(2H)-pyridazinone (CAS: 2166-31-6)?

When handling 6-Phenyl-3(2H)-pyridazinone, it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct light and heat. Inhalation and skin contact should be avoided; in case of spillage, use a fume hood and consult the safety data sheet (SDS) for proper disposal procedures.