CAS 942060-55-1

4-Bromo-5-(bromomethyl)-1-methyl-1H-1,2,3-triazole

Description:

4-Bromo-5-(bromomethyl)-1-methyl-1H-1,2,3-triazole is a heterocyclic organic compound characterized by its triazole ring, which consists of three nitrogen atoms and two carbon atoms. This compound features bromine substituents at the 4 and 5 positions, contributing to its reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the methyl group at the 1 position enhances its lipophilicity, which can influence its biological activity and solubility. The bromomethyl group at the 5 position serves as a reactive site for further chemical modifications, making it a versatile intermediate in synthetic chemistry. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of antimicrobial or anticancer agents. Additionally, its unique properties may allow for exploration in material science or as a building block in the synthesis of more complex molecules. As with many brominated compounds, considerations regarding environmental impact and safety are essential during handling and application.

Formula: C₄H₅Br₂N₃

InChI: InChI=1S/C4H5Br2N3/c1-9-3(2-5)4(6)7-8-9/h2H2,1H3

InChI key: InChIKey=BBOYNDICRHSGJR-UHFFFAOYSA-N

SMILES: C(Br)C1=C(Br)N=NN1C

Synonyms:

• 4-Bromo-5-bromomethyl-1-methyl-1H-[1,2,3]triazole
• 1H-1,2,3-Triazole, 4-bromo-5-(bromomethyl)-1-methyl-
• 4-Bromo-5-(bromomethyl)-1-methyl-1H-1,2,3-triazole