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CAS 39846-84-9

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Ethyl 5-nitro-1H-pyrazole-3-carboxylate

Description:
Ethyl 5-nitro-1H-pyrazole-3-carboxylate is an organic compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features a nitro group (-NO2) at the 5-position and an ethyl ester group at the 3-position of the pyrazole ring, contributing to its reactivity and solubility properties. It is typically a yellow to orange crystalline solid, and its molecular structure allows for various chemical reactions, making it useful in synthetic organic chemistry. The presence of the nitro group enhances its electrophilic character, while the carboxylate moiety can participate in nucleophilic substitutions. Ethyl 5-nitro-1H-pyrazole-3-carboxylate is often utilized in the development of pharmaceuticals and agrochemicals due to its potential biological activity. As with many nitro compounds, it should be handled with care due to possible toxicity and environmental concerns. Proper safety measures should be observed when working with this compound in laboratory settings.
Formula:C6H7N3O4
InChI:InChI=1S/C6H7N3O4/c1-2-13-6(10)4-3-5(8-7-4)9(11)12/h3H,2H2,1H3,(H,7,8)
InChI key:InChIKey=SNZZJCBTYCCHNG-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=C(N(=O)=O)NN1
Synonyms:
  • Ethyl 5-nitro-1H-pyrazole-3-carboxylate
  • Ethyl 3-nitro-1H-pyrazole-5-carboxylate
  • 1H-Pyrazole-3-carboxylic acid, 5-nitro-, ethyl ester
  • 5-Nitro-3-pyrazolecarboxylic acid ethyl ester
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