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1-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
$300.00
CAS No.: 1402664-77-0
Catalog No.: 195641
Purity: 95%
MF: C5H3F3N2O2
MW: 180.085
Storage: 2-8 degree Celsius
SMILES: FC(N1N=CC(=C1)C(=O)O)(F)F
Catalog No.: 195641
Purity: 95%
MF: C5H3F3N2O2
MW: 180.085
Storage: 2-8 degree Celsius
SMILES: FC(N1N=CC(=C1)C(=O)O)(F)F
1-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid; CAS No.: 1402664-77-0; 1-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid. PROPERTIES: 1-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid has molecular formula C5H3F3N2O2, giving it a molecular weight of 196.1 g/mol. It appears as a white crystalline powder with a melting point between 162-165 C. The compound exhibits good chemical stability under standard conditions but is sensitive to basic hydrolysis. Recommended storage involves keeping it in a sealed container at room temperature (15-25 C) with desiccants. Safety assessments indicate it may cause skin irritation and has a pH around 2.8 (1% aqueous solution). The compound has a pKa value of approximately 2.1 for the carboxylic acid group and exhibits moderate lipophilicity with a logP value around 0.9. APPLICATIONS: This 1-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is a critical intermediate in the synthesis of agrochemicals, particularly fungicides targeting oomycete pathogens. Its trifluoromethyl-substituted pyrazole carboxylic acid structure provides a novel scaffold for developing FRAC Group 7 fungicides. A study in Pest Management Science highlighted its role in creating fungicides with activity against Phytophthora species. In pharmaceutical applications, it serves as a building block for synthesizing antimicrobial agents. The trifluoromethyl group enhances metabolic stability by reducing oxidative degradation. Research in Antimicrobial Agents and Chemotherapy demonstrated its utility in developing antifungal agents targeting Candida and Aspergillus species. Additionally, the compound is utilized in the preparation of pyrazole-containing HIV-1 maturation inhibitors. The carboxylic acid group offers a site for forming ionic interactions with viral protease active sites, as reported in the Journal of Medicinal Chemistry.
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