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CAS 512809-60-8

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3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid

Description:
3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid is a chemical compound characterized by its unique pyrazole structure, which features two difluoromethyl groups at the 3 and 5 positions of the pyrazole ring. This compound contains an acetic acid functional group, contributing to its acidic properties. The presence of difluoromethyl groups enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The compound is typically a solid at room temperature and is soluble in polar organic solvents. Its molecular structure suggests potential applications in agrochemicals or medicinal chemistry, particularly in the development of herbicides or pharmaceuticals due to its ability to interact with biological targets. Safety data indicates that, like many fluorinated compounds, it should be handled with care, as it may pose environmental and health risks. Overall, 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid exemplifies the intersection of organic chemistry and applied sciences, highlighting the importance of fluorinated compounds in modern chemical research.
Formula:C7H6F4N2O2
InChI:InChI=1S/C7H6F4N2O2/c8-6(9)3-1-4(7(10)11)13(12-3)2-5(14)15/h1,6-7H,2H2,(H,14,15)
InChI key:InChIKey=TXIOULNLSCTYNR-UHFFFAOYSA-N
SMILES:C(C(O)=O)N1C(C(F)F)=CC(C(F)F)=N1
Synonyms:
  • 2-(3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl)acetic acid
  • 2-[3,5-Bis(difluoromethyl)pyrazol-1-yl]acetic acid
  • 1H-Pyrazole-1-acetic acid, 3,5-bis(difluoromethyl)-
  • 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid
  • [3,5-Bis[difluoromethyl]-1H-pyrazol-1-yl]acetic acid
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