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CAS 1199215-88-7

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5-Chloro-3-(trifluoromethyl)-1H-1,2,4-triazole

Description:
5-Chloro-3-(trifluoromethyl)-1H-1,2,4-triazole is a heterocyclic compound characterized by its triazole ring, which consists of three nitrogen atoms and two carbon atoms. The presence of a chlorine atom at the 5-position and a trifluoromethyl group at the 3-position contributes to its unique chemical properties. This compound is typically a solid at room temperature and is known for its stability under various conditions. It exhibits moderate solubility in polar organic solvents, which can facilitate its use in various chemical reactions and applications. The trifluoromethyl group enhances its lipophilicity and can influence its biological activity, making it of interest in pharmaceutical and agrochemical research. Additionally, the compound may exhibit fungicidal or herbicidal properties, which are valuable in agricultural applications. Its molecular structure allows for potential interactions with biological targets, making it a candidate for further investigation in medicinal chemistry. Safety data should be consulted to understand its handling and toxicity profiles.
Formula:C3HClF3N3
InChI:InChI=1S/C3HClF3N3/c4-2-8-1(9-10-2)3(5,6)7/h(H,8,9,10)
InChI key:InChIKey=XRZFEFMCIGCKEH-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1NC(Cl)=NN1
Synonyms:
  • 1H-1,2,4-Triazole, 5-chloro-3-(trifluoromethyl)-
  • 5-Chloro-3-(trifluoromethyl)-1H-1,2,4-triazole
  • 5-chloro-3-(trifluoromethyl)-1H-1,2,4-triazole(SALTDATA: FREE)
  • 5-chloro-3-(trifluoromethyl)-1H-1,2,4-triazole(SALTDATA
  • 3-chloro-5-(trifluoromethyl)-4H-1,2,4-triazole
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