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CAS 400756-39-0

:

4-chloro-1-ethyl-1H-pyrazole-5-carboxylic acid

Description:
4-Chloro-1-ethyl-1H-pyrazole-5-carboxylic acid is a heterocyclic organic compound characterized by its pyrazole ring structure, which contains a chlorine substituent and a carboxylic acid functional group. The presence of the chloro group at the 4-position and the ethyl group at the 1-position contributes to its unique chemical properties, influencing its reactivity and solubility. This compound is typically a solid at room temperature and exhibits moderate polarity due to the carboxylic acid group, which can participate in hydrogen bonding. It may be soluble in polar solvents like water and alcohols, while its hydrophobic ethyl group can enhance its lipophilicity. The compound is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity. Its synthesis often involves multi-step organic reactions, and it can be analyzed using techniques such as NMR spectroscopy and mass spectrometry to confirm its structure and purity. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C6H7ClN2O2
InChI:InChI=1/C6H7ClN2O2/c1-2-9-5(6(10)11)4(7)3-8-9/h3H,2H2,1H3,(H,10,11)
SMILES:CCn1c(c(cn1)Cl)C(=O)O
Synonyms:
  • 1H-Pyrazole-5-carboxylic acid, 4-chloro-1-ethyl-
  • 4-Chloro-1-ethyl-1H-pyrazole-5-carboxylic acid
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