CAS 142623-48-1

3-(4-Chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole

Description:

3-(4-Chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole, with the CAS number 142623-48-1, is a synthetic organic compound characterized by its complex molecular structure, which includes a pyrazole ring substituted with various functional groups. The presence of a trifluoromethyl group and a chloro-fluoro-methylphenyl moiety contributes to its unique chemical properties, including potential lipophilicity and reactivity. This compound is typically studied for its biological activity, particularly in the context of pharmaceuticals, where such substitutions can influence the compound's interaction with biological targets. Its molecular structure suggests potential applications in agrochemicals or medicinal chemistry, where the specific arrangement of halogens and methyl groups may enhance its efficacy or selectivity. Additionally, the presence of multiple fluorine atoms often indicates increased stability and altered solubility characteristics, making it a subject of interest in various chemical research fields.

Formula: C₁₂H₉ClF₄N₂

InChI: InChI=1S/C12H9ClF4N2/c1-6-3-7(9(14)4-8(6)13)10-5-11(12(15,16)17)19(2)18-10/h3-5H,1-2H3

InChI key: InChIKey=YNQXHQDFBVIEDP-UHFFFAOYSA-N

SMILES: FC1=C(C=2C=C(C(F)(F)F)N(C)N2)C=C(C)C(Cl)=C1

Synonyms:

• 3-(4-Chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole
• 1-Methyl-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)pyrazole
• 1H-Pyrazole, 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)-

3-(4-Chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole

Controlled Product

CAS: 142623-48-1

Applications 3-(4-Chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole is an intermediate in the synthesis of Fluazolate (F407500), the active ingredient in the preparation of agrochemicals and drugs in amorphous form.
References Foster, R. S., et al.: Org. Lett., 14, 4858 (2012);

Formula: C₁₂H₉ClF₄N₂

Color and Shape: Neat

Molecular weight: 292.66

Ref: TR-C367550