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CAS 477869-80-0

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Ethyl 3,5-dibromo-1H-1,2,4-triazole-1-acetate

Description:
Ethyl 3,5-dibromo-1H-1,2,4-triazole-1-acetate is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features two bromine substituents at the 3 and 5 positions of the triazole ring, contributing to its reactivity and potential biological activity. The ethyl acetate moiety enhances its solubility in organic solvents, making it useful in various applications, including pharmaceuticals and agrochemicals. The presence of bromine atoms can impart unique properties, such as increased lipophilicity and potential for halogen bonding. Additionally, the compound may exhibit antifungal or herbicidal properties, typical of many triazole derivatives. Its molecular structure suggests that it may participate in various chemical reactions, including nucleophilic substitutions and coupling reactions. Safety and handling precautions should be observed due to the presence of bromine, which can be hazardous. Overall, Ethyl 3,5-dibromo-1H-1,2,4-triazole-1-acetate is a versatile compound with significant potential in chemical research and application.
Formula:C6H7Br2N3O2
InChI:InChI=1S/C6H7Br2N3O2/c1-2-13-4(12)3-11-6(8)9-5(7)10-11/h2-3H2,1H3
InChI key:InChIKey=FUFDVZGJGRFZMP-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)N1N=C(Br)N=C1Br
Synonyms:
  • Ethyl 3,5-dibromo-1H-1,2,4-triazole-1-acetate
  • 1H-1,2,4-Triazole-1-acetic acid, 3,5-dibromo-, ethyl ester
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