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CAS 31803-05-1

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5-Chloro-3-phenyl-1H-1,2,4-triazole

Description:
5-Chloro-3-phenyl-1H-1,2,4-triazole is a heterocyclic compound characterized by its triazole ring, which consists of three nitrogen atoms and two carbon atoms. This compound features a chlorine atom at the 5-position and a phenyl group at the 3-position of the triazole ring, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the chlorine atom can enhance its reactivity and influence its biological activity, making it of interest in various fields, including pharmaceuticals and agrochemicals. The triazole moiety is known for its ability to form hydrogen bonds, which can affect its interactions with biological targets. Additionally, compounds like 5-Chloro-3-phenyl-1H-1,2,4-triazole may exhibit antifungal, antibacterial, or herbicidal properties, depending on their specific structure and substituents. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or environmental impact.
Formula:C8H6ClN3
InChI:InChI=1S/C8H6ClN3/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11,12)
InChI key:InChIKey=WUGMRLNXPOGSCB-UHFFFAOYSA-N
SMILES:ClC=1NC(=NN1)C2=CC=CC=C2
Synonyms:
  • s-Triazole, 3-chloro-5-phenyl-
  • 1H-1,2,4-Triazole, 5-chloro-3-phenyl-
  • 3-Chloro-5-phenyl-4H-[1,2,4]triazole
  • 1H-1,2,4-Triazole, 3-chloro-5-phenyl-
  • 5-Chloro-3-phenyl-1H-1,2,4-triazole
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