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CAS 112055-36-4

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Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Description:
Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, with the CAS number 112055-36-4, is a chemical compound characterized by its pyrazole core, which is a five-membered heterocyclic structure containing two nitrogen atoms. This compound features a 4-chlorophenyl group, contributing to its aromatic properties and potential biological activity. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its reactivity and interaction with biological targets. As an ester, it contains an ethyl group attached to the carboxylate functional group, which can affect its solubility and stability. This compound is of interest in medicinal chemistry and agrochemicals due to its potential applications in drug development and as a pesticide or herbicide. Its unique structural features may confer specific pharmacological properties, making it a subject of research in various fields, including pharmaceuticals and material science. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity and environmental impact.
Formula:C13H10ClF3N2O2
InChI:InChI=1S/C13H10ClF3N2O2/c1-2-21-12(20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
InChI key:InChIKey=AXOBLWLBBFCXOG-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1N(N=CC1C(OCC)=O)C2=CC=C(Cl)C=C2
Synonyms:
  • 1-(4-Chlorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
  • 1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-(trifluoromethyl)-, ethyl ester
  • Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
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