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CAS 1326811-82-8

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Ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate

Description:
Ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylate ester functional group, contributing to its reactivity and solubility properties. The presence of the 3-bromophenyl substituent enhances its potential for various chemical reactions, including electrophilic aromatic substitution and nucleophilic attacks. Ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate is typically used in organic synthesis and may serve as an intermediate in the development of pharmaceuticals or agrochemicals. Its molecular structure suggests potential biological activity, making it of interest in medicinal chemistry. The compound's properties, such as melting point, boiling point, and solubility, can vary based on the specific conditions and purity of the sample. As with many organic compounds, safety precautions should be observed when handling this substance, including the use of appropriate personal protective equipment and adherence to safety data sheet guidelines.
Formula:C12H11BrN2O2
InChI:InChI=1S/C12H11BrN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,15)
InChI key:InChIKey=KUJTYJNKBBDFIY-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=C(NN1)C2=CC(Br)=CC=C2
Synonyms:
  • 1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)-, ethyl ester
  • Ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate
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