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CAS 1004644-64-7

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4-Chloro-3-nitro-1H-pyrazole-1-propanoic acid

Description:
4-Chloro-3-nitro-1H-pyrazole-1-propanoic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a chloro group and a nitro group, which are both electron-withdrawing substituents, influencing its reactivity and properties. The presence of the propanoic acid moiety indicates that it has a carboxylic acid functional group, contributing to its acidity and potential for forming salts or esters. The compound is typically used in various chemical syntheses and may have applications in agrochemicals or pharmaceuticals due to its biological activity. Its molecular structure suggests it may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. Safety data should be consulted for handling and storage, as the presence of chlorine and nitro groups can imply toxicity or environmental hazards. Overall, 4-Chloro-3-nitro-1H-pyrazole-1-propanoic acid is a versatile compound with significant implications in chemical research and application.
Formula:C6H6ClN3O4
InChI:InChI=1S/C6H6ClN3O4/c7-4-3-9(2-1-5(11)12)8-6(4)10(13)14/h3H,1-2H2,(H,11,12)
InChI key:InChIKey=FSXPGXHGUGQSMX-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=NN(CCC(O)=O)C=C1Cl
Synonyms:
  • 4-Chloro-3-nitro-1H-pyrazole-1-propanoic acid
  • 1H-Pyrazole-1-propanoic acid, 4-chloro-3-nitro-
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