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CAS 956950-98-4

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4-Chloro-α,3,5-trimethyl-1H-pyrazole-1-acetic acid

Description:
4-Chloro-α,3,5-trimethyl-1H-pyrazole-1-acetic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of a chloro substituent at the 4-position and three methyl groups at the 3, 5, and α-positions contributes to its unique properties. This compound is typically a solid at room temperature and is soluble in organic solvents, reflecting its moderate polarity. It may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of agrochemicals or pharmaceuticals. The carboxylic acid functional group (-COOH) is significant for its reactivity and potential interactions in biological systems. Additionally, the compound's stability and reactivity can be influenced by the presence of the chloro and methyl groups, which can affect its electronic properties and steric hindrance. Overall, 4-Chloro-α,3,5-trimethyl-1H-pyrazole-1-acetic acid is a compound of interest in various chemical and biological applications.
Formula:C8H11ClN2O2
InChI:InChI=1S/C8H11ClN2O2/c1-4-7(9)5(2)11(10-4)6(3)8(12)13/h6H,1-3H3,(H,12,13)
InChI key:InChIKey=ZFBIVBZRAMXENI-UHFFFAOYSA-N
SMILES:C(C(O)=O)(C)N1C(C)=C(Cl)C(C)=N1
Synonyms:
  • 1H-Pyrazole-1-acetic acid, 4-chloro-α,3,5-trimethyl-
  • 4-Chloro-α,3,5-trimethyl-1H-pyrazole-1-acetic acid
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