CAS 1004193-33-2

4-Chloro-1-[(2,4-dichlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole

Description:

4-Chloro-1-[(2,4-dichlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole is a chemical compound characterized by its complex structure, which includes a pyrazole ring substituted with a chloro group and an isothiocyanate functional group. The presence of the 2,4-dichlorophenyl moiety contributes to its potential biological activity and lipophilicity. This compound is typically used in research and may have applications in agrochemicals or pharmaceuticals due to its unique reactivity and ability to interact with biological systems. Its isothiocyanate group suggests potential for nucleophilic reactions, making it a candidate for further chemical transformations. Additionally, the chlorinated aromatic ring may enhance its stability and influence its solubility in various solvents. Safety and handling precautions are essential when working with this compound, as it may exhibit toxicity or environmental hazards. Overall, 4-Chloro-1-[(2,4-dichlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole is a notable compound in the field of synthetic chemistry and material science.

Formula: C₁₁H₆Cl₃N₃S

InChI: InChI=1S/C11H6Cl3N3S/c12-8-2-1-7(9(13)3-8)4-17-5-10(14)11(16-17)15-6-18/h1-3,5H,4H2

InChI key: InChIKey=KYTZNXFOAWELBO-UHFFFAOYSA-N

SMILES: C(C1=C(Cl)C=C(Cl)C=C1)N2N=C(N=C=S)C(Cl)=C2

Synonyms:

• 1H-Pyrazole, 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3-isothiocyanato-
• 4-Chloro-1-[(2,4-dichlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole