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CAS 1245807-07-1

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

Description:
Ethyl 1-methyl-3-nitro-1H-pyrazole-5-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) and an ethyl ester functional group, contributing to its reactivity and potential applications in various chemical reactions. The presence of the methyl group at the 1-position and the nitro group at the 3-position of the pyrazole ring influences its electronic properties, making it a candidate for further functionalization. Ethyl 1-methyl-3-nitro-1H-pyrazole-5-carboxylate is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its chemical properties suggest potential uses in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Safety data should be consulted for handling, as nitro compounds can be sensitive to heat and shock, and may pose environmental hazards.
Formula:C7H9N3O4
InChI:InChI=1S/C7H9N3O4/c1-3-14-7(11)5-4-6(10(12)13)8-9(5)2/h4H,3H2,1-2H3
InChI key:InChIKey=XAVAKIWHFFUSFO-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(N(=O)=O)=NN1C
Synonyms:
  • 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-nitro-, ethyl ester
  • Ethyl 1-methyl-3-nitro-1H-pyrazole-5-carboxylate
  • 2-Methyl-5-nitro-2H-pyrazole-3-carboxylic acid ethyl ester
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