CAS 1177093-03-6

1-[4-Nitro-2-(trifluoromethyl)phenyl]-1H-pyrazole

Description:

1-[4-Nitro-2-(trifluoromethyl)phenyl]-1H-pyrazole is an organic compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a 4-nitro group and a trifluoromethyl group on the phenyl ring significantly influences its chemical properties, including its reactivity and polarity. The nitro group is known for its electron-withdrawing effects, which can enhance the compound's electrophilicity, while the trifluoromethyl group contributes to its lipophilicity and can affect its solubility in various solvents. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests potential applications in agrochemicals or as a building block in organic synthesis. Additionally, the presence of multiple functional groups indicates that it may participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. Safety and handling precautions should be observed due to the presence of the nitro group, which can pose health risks.

Formula: C₁₀H₆F₃N₃O₂

InChI: InChI=1S/C10H6F3N3O2/c11-10(12,13)8-6-7(16(17)18)2-3-9(8)15-5-1-4-14-15/h1-6H

InChI key: InChIKey=LKDUISACDFMPIB-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(C=CC(N(=O)=O)=C1)N2C=CC=N2

Synonyms:

• 1-[4-Nitro-2-(trifluoromethyl)phenyl]-1H-pyrazole
• 1H-Pyrazole, 1-[4-nitro-2-(trifluoromethyl)phenyl]-