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CAS 890095-46-2

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5-(Chloromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole

Description:
5-(Chloromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole is a chemical compound characterized by its tetrazole ring, which is a five-membered heterocyclic structure containing four nitrogen atoms and one carbon atom. The presence of a chloromethyl group enhances its reactivity, making it a useful intermediate in organic synthesis. The trifluoromethyl group attached to the phenyl ring significantly influences the compound's electronic properties, often enhancing lipophilicity and biological activity. This compound is typically used in pharmaceutical research and development due to its potential applications in drug design, particularly in the development of agents with antimicrobial or anti-inflammatory properties. Its unique structure allows for various chemical modifications, which can lead to the discovery of new compounds with desirable pharmacological effects. As with many nitrogen-containing heterocycles, it may exhibit interesting coordination chemistry and can interact with metal ions, further expanding its utility in various chemical contexts. Safety and handling precautions should be observed due to the presence of chlorine and the potential reactivity of the tetrazole moiety.
Formula:C9H6ClF3N4
InChI:InChI=1S/C9H6ClF3N4/c10-5-8-14-15-16-17(8)7-3-1-2-6(4-7)9(11,12)13/h1-4H,5H2
InChI key:InChIKey=HXDNQDWDQHSHEV-UHFFFAOYSA-N
SMILES:C(Cl)C=1N(N=NN1)C2=CC(C(F)(F)F)=CC=C2
Synonyms:
  • 1H-Tetrazole, 5-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-
  • 5-(Chloromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole
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