CAS 1004192-79-3

4-Bromo-1-[(2-chlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole

Description:

4-Bromo-1-[(2-chlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole is a chemical compound characterized by its complex structure, which includes a pyrazole ring substituted with a bromine atom and an isothiocyanate group. The presence of the 2-chlorophenyl group contributes to its unique reactivity and potential biological activity. This compound is typically used in research settings, particularly in the fields of medicinal chemistry and agrochemicals, due to its potential as a bioactive agent. It may exhibit various pharmacological properties, including antimicrobial or herbicidal activities, depending on its specific interactions with biological targets. The isothiocyanate functional group is known for its reactivity, particularly in nucleophilic substitution reactions, making this compound of interest for synthetic applications. Additionally, the presence of halogen atoms can influence the compound's solubility and stability, which are critical factors in its practical applications. As with many chemical substances, safety and handling precautions are essential due to potential toxicity or reactivity.

Formula: C₁₁H₇BrClN₃S

InChI: InChI=1S/C11H7BrClN3S/c12-9-6-16(15-11(9)14-7-17)5-8-3-1-2-4-10(8)13/h1-4,6H,5H2

InChI key: InChIKey=ZDHYRDZNWFIUSF-UHFFFAOYSA-N

SMILES: C(N1N=C(N=C=S)C(Br)=C1)C2=C(Cl)C=CC=C2

Synonyms:

• 4-Bromo-1-[(2-chlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
• 1H-Pyrazole, 4-bromo-1-[(2-chlorophenyl)methyl]-3-isothiocyanato-