128694-71-3

Basic information

• Product Name: 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
• Synonyms: 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE);4-Chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid;4-chloro-3-trifluoromethyl-1-methylpyrazole-5-carboxylic acid;4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
• CAS NO: 128694-71-3
• Molecular Formula: C₆H₄ClF₃N₂O₂
• Molecular Weight: 228.5563696
• Mol File: 128694-71-3.mol
• Article Data: 1

Chemical Properties

• Melting Point: 180-182 °C
• Boiling Point: 320.9±42.0 °C(Predicted)
• Appearance: /
• Density: 1.71±0.1 g/cm3(Predicted)
• PKA: 1.34±0.38(Predicted)
• CAS DataBase Reference: 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)(CAS DataBase Reference)
• NIST Chemistry Reference: 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)(128694-71-3)
• EPA Substance Registry System: 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)(128694-71-3)

Safety Data

• Hazardous Substances Data: 128694-71-3(Hazardous Substances Data)

Upstream product

• 128694-63-3 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid 

Relevant articles and documents

Improved regioselectivity in pyrazole formation through the use of fluorinated alcohols as solvents: Synthesis and biological activity of fluorinated tebufenpyrad analogs

(Chemical Equation Presented) The preparation of N-methylpyrazoles is usually accomplished through reaction of a suitable 1,3-diketone with methylhydrazine in ethanol as the solvent. This strategy, however, leads to the formation of regioisomeric mixtures of N-methylpyrazoles, which sometimes are difficult to separate. We have determined that the use of fluorinated alcohols such as 2,2,2-trifluoroethanol (TFE) and 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) as solvents dramatically increases the regioselectivity in the pyrazole formation, and we have used this modification in a straightforward synthesis of fluorinated analogs of Tebufenpyrad with acaricide activity.