CAS 1087792-04-8

Methyl 2-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)benzoate

Description:

Methyl 2-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)benzoate is a chemical compound characterized by its complex structure, which includes a pyridazine ring substituted with dichloro and keto groups, as well as a benzoate moiety. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, such as stability and potential reactivity due to the presence of electrophilic and nucleophilic sites. The dichloro substituents can enhance its biological activity and influence its solubility in various solvents. Methyl 2-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)benzoate may be of interest in medicinal chemistry, particularly for its potential applications in drug development, as compounds with similar structures often exhibit significant pharmacological properties. Its synthesis and characterization would involve standard organic chemistry techniques, including purification methods such as recrystallization or chromatography. Safety data sheets should be consulted for handling and storage guidelines, as the presence of chlorine atoms may indicate toxicity or environmental hazards.

Formula: C₁₂H₈Cl₂N₂O₃

InChI: InChI=1S/C12H8Cl2N2O3/c1-19-12(18)7-4-2-3-5-9(7)16-11(17)10(14)8(13)6-15-16/h2-6H,1H3

InChI key: InChIKey=NFNPKRNFGIKDBI-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(C=CC=C1)N2C(=O)C(Cl)=C(Cl)C=N2

Synonyms:

• Methyl 2-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)benzoate
• Benzoic acid, 2-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, methyl ester