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CAS 106724-85-0

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3,5-Dibromo-1-(phenylmethyl)-1H-1,2,4-triazole

Description:
3,5-Dibromo-1-(phenylmethyl)-1H-1,2,4-triazole 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, enhancing its reactivity and potential biological activity. The phenylmethyl group attached at the 1-position contributes to its lipophilicity, which can influence its solubility and interaction with biological systems. The presence of bromine atoms may also impart unique electronic properties, making it of interest in various applications, including pharmaceuticals and agrochemicals. The compound's molecular structure suggests potential for diverse interactions, including hydrogen bonding and π-π stacking, which can be significant in drug design and material science. As with many halogenated compounds, it is essential to consider its environmental impact and toxicity, particularly in the context of regulatory frameworks governing chemical safety.
Formula:C9H7Br2N3
InChI:InChI=1S/C9H7Br2N3/c10-8-12-9(11)14(13-8)6-7-4-2-1-3-5-7/h1-5H,6H2
InChI key:InChIKey=YXSNCHAOAYRKCF-UHFFFAOYSA-N
SMILES:C(N1C(Br)=NC(Br)=N1)C2=CC=CC=C2
Synonyms:
  • 1-Benzyl-3,5-dibromo-1,2,4-triazole
  • 1-Benzyl-3,5-dibromo-1H-1,2,4-triazole 95%
  • 1H-1,2,4-Triazole, 3,5-dibromo-1-(phenylmethyl)-
  • 3,5-Dibromo-1-(phenylmethyl)-1H-1,2,4-triazole
  • 1-Benzyl-3,5-dibromo-1H-1,2,4-triazole
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