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CAS 13274-75-4

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4-(4-Nitrophenyl)-3H-1,2,4-triazole-3,5(4H)-dione

Description:
4-(4-Nitrophenyl)-3H-1,2,4-triazole-3,5(4H)-dione, with CAS number 13274-75-4, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a nitrophenyl group, which contributes to its potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the nitro group enhances its reactivity and may influence its biological activity. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential for hydrogen bonding and other intermolecular interactions, which can affect its stability and reactivity. Additionally, the compound may possess interesting electronic properties due to the conjugation between the triazole and nitrophenyl moieties, making it a subject of interest for research in material science and medicinal chemistry. Safety data should be consulted for handling and storage, as compounds with nitro groups can be sensitive and may pose health risks.
Formula:C8H4N4O4
InChI:InChI=1S/C8H4N4O4/c13-7-9-10-8(14)11(7)5-1-3-6(4-2-5)12(15)16/h1-4H
InChI key:InChIKey=UESRQNZMQYMVKM-UHFFFAOYSA-N
SMILES:O=C1N(C2=CC=C(N(=O)=O)C=C2)C(=O)N=N1
Synonyms:
  • 4-(4-Nitrophenyl)-3H-1,2,4-triazole-3,5(4H)-dione
  • 4-(p-Nitrophenyl)-1,2,4-triazoline-3,5-dione
  • 4H-1,2,4-Triazole-3,5-dione, 4-(p-nitrophenyl)-
  • 3H-1,2,4-Triazole-3,5(4H)-dione, 4-(4-nitrophenyl)-
  • 4-(4-Nitrophenyl)-1,2,4-triazoline-3,5-dione
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