CAS 98534-81-7

1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

Description:

1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. The presence of a phenyl group and a trifluoromethyl group enhances its chemical properties, making it a compound of interest in various fields, including pharmaceuticals and agrochemicals. The carboxylic acid functional group contributes to its acidity and potential reactivity, allowing for various chemical transformations. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid group. Its trifluoromethyl group can impart unique electronic properties, influencing its biological activity and interactions with other molecules. Overall, 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is notable for its structural features and potential applications in medicinal chemistry and material science.

Formula: C₁₁H₇F₃N₂O₂

InChI: InChI=1S/C11H7F3N2O2/c12-11(13,14)9-8(10(17)18)6-15-16(9)7-4-2-1-3-5-7/h1-6H,(H,17,18)

InChI key: InChIKey=SMPJBTIFNUUWGQ-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1N(N=CC1C(O)=O)C2=CC=CC=C2

Synonyms:

• 1-Phenyl-5-trifluoromethylpyrazole-4-carboxylic acid
• 1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(trifluoromethyl)-
• 1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid
• 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

CAS: 98534-81-7

Formula: C₁₁H₇F₃N₂O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 256.1807

Ref: IN-DA005UF2

1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

CAS: 98534-81-7

1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Purity: 95

Color and Shape: Off-White Solid

Molecular weight: 256.18g/mol

Ref: 54-PC8670

1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

CAS: 98534-81-7

Formula: C₁₁H₇F₃N₂O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 256.184

Ref: 10-F008411

1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

CAS: 98534-81-7

1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid is a white crystalline solid with a melting point of about 120°C. It is soluble in water, methanol and ethanol. 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid has been used as an intermediate for the synthesis of fluoroquinolones. This compound can be used to synthesize fluoroquinolones by reacting it with a carboxylic acid to form an ester. The crystal structure analysis and diffraction of 1-phenyl 5-(trifluoromethyl)pyrazole 4-carboxylic acid show that this compound has eight hydrogen bonds and two acceptors. The molecule also has a molecular electrostatic potential of -0.6 eV, which indicates that the electron density is concentrated near the fluor

Formula: C₁₁H₇F₃N₂O₂

Purity: Min. 95%

Molecular weight: 256.18 g/mol

Ref: 3D-FP57121