CAS 1004194-41-5

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

Description:

1-[(2-Chloro-4-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole is a chemical compound characterized by its unique structure, which includes a pyrazole ring, a chloro-fluorophenyl group, and an isothiocyanate functional group. The presence of the isothiocyanate group suggests potential reactivity, particularly in nucleophilic substitution reactions, making it of interest in various synthetic applications. The chloro and fluorine substituents on the phenyl ring can influence the compound's electronic properties and lipophilicity, potentially affecting its biological activity. This compound may exhibit herbicidal or pesticidal properties, as is common with many isothiocyanate derivatives. Its molecular weight, solubility, and stability under various conditions would be important factors to consider for practical applications. Additionally, safety and handling precautions are essential due to the potential toxicity associated with isothiocyanates and halogenated compounds. Overall, this compound represents a class of chemicals that could be valuable in agrochemical research and development.

Formula: C₁₁H₇ClFN₃S

InChI: InChI=1S/C11H7ClFN3S/c12-10-5-9(13)2-1-8(10)6-16-4-3-11(15-16)14-7-17/h1-5H,6H2

InChI key: InChIKey=UOEUTIVZIHCVQJ-UHFFFAOYSA-N

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

Synonyms:

• 1-(2-Chloro-4-fluorobenzyl)-3-isothiocyanato-1H-pyrazole
• 1-(2-Chloro-4-fluoro-benzyl)-3-isothiocyanato-1H-pyrazole
• 1H-Pyrazole, 1-[(2-chloro-4-fluorophenyl)methyl]-3-isothiocyanato-
• 1-[(2-Chloro-4-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
• ART-CHEM-BB B017638
• AKOS B017638

1-(2-Chloro-4-fluoro-benzyl)-3-isothiocyanato-1H-pyrazole

CAS: 1004194-41-5

Formula: C₁₁H₇ClFN₃S

Molecular weight: 267.71

Ref: 10-F025941