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CAS 13138-73-3

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Methyl 5-nitro-1H-pyrrole-2-carboxylate

Description:
Methyl 5-nitro-1H-pyrrole-2-carboxylate is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. The presence of a nitro group at the 5-position and a carboxylate ester at the 2-position contributes to its reactivity and potential applications in organic synthesis. This compound typically appears as a yellow to orange solid and is soluble in organic solvents. It is often used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals due to its ability to undergo further chemical transformations. The nitro group can participate in reduction reactions, while the carboxylate moiety can engage in nucleophilic substitution or condensation reactions. Safety data indicates that, like many nitro compounds, it should be handled with care due to potential toxicity and environmental concerns. Proper storage and handling protocols are essential to mitigate risks associated with exposure.
Formula:C6H6N2O4
InChI:InChI=1S/C6H6N2O4/c1-12-6(9)4-2-3-5(7-4)8(10)11/h2-3,7H,1H3
InChI key:InChIKey=ROJHSLVRAQKAKW-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1NC(N(=O)=O)=CC1
Synonyms:
  • 1H-Pyrrole-2-carboxylic acid, 5-nitro-, methyl ester
  • 2-(Methoxycarbonyl)-5-nitro-1H-pyrrole
  • Methyl 5-nitro-2-pyrrolecarboxylate
  • Pyrrole-2-carboxylic acid, 5-nitro-, methyl ester
  • Methyl 5-nitro-1H-pyrrole-2-carboxylate
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