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CAS 5097-86-9

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4-(4-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Description:
4-(4-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, with the CAS number 5097-86-9, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance typically exhibits a white to off-white crystalline appearance and is known for its potential biological activity, particularly in the field of pharmaceuticals. The presence of the 4-chlorophenyl group enhances its lipophilicity and may influence its interaction with biological targets. It is soluble in organic solvents, and its stability can be affected by environmental conditions such as pH and temperature. The compound may exhibit antifungal or antimicrobial properties, making it of interest in medicinal chemistry. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance. Overall, its unique structure and properties make it a subject of interest for further research and application in various chemical and pharmaceutical contexts.
Formula:C8H6ClN3O
InChI:InChI=1S/C8H6ClN3O/c9-6-1-3-7(4-2-6)12-5-10-11-8(12)13/h1-5H,(H,11,13)
InChI key:InChIKey=PMXUOAFWKPAZIG-UHFFFAOYSA-N
SMILES:O=C1N(C=NN1)C2=CC=C(Cl)C=C2
Synonyms:
  • PRR846
  • Δ2-1,2,4-Triazolin-5-one, 4-(p-chlorophenyl)-
  • 4-(4-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
  • 3H-1,2,4-Triazol-3-one, 4-(4-chlorophenyl)-2,4-dihydro-
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