Description

5-Bromo-4-cyclopropyl-1H-1,2,3-triazole (CAS No. 1346948-93-3) is a high-purity heterocyclic organic compound with the molecular formula C₅H₆BrN₃. This brominated triazole derivative features a cyclopropyl substituent, offering unique reactivity for advanced synthetic applications. With an IUPAC name of 4-bromo-5-cyclopropyl-2H-triazole, this compound is supplied as a white to off-white crystalline solid with ≥95% purity (HPLC). It is soluble in common organic solvents such as DMSO, methanol, and dichloromethane. Ideal for pharmaceutical research, agrochemical development, and materials science, this building block enables click chemistry, cross-coupling reactions, and heterocycle functionalization. Packaged under inert gas in amber glass vials to ensure stability. Store at 2-8°C in a dry environment. MSDS and analytical certificates available upon request.

Properties

• CAS Number: 1346948-93-3
• Complexity: 115
• IUPAC Name: 4-bromo-5-cyclopropyl-2H-triazole
• InChI: InChI=1S/C5H6BrN3/c6-5-4(3-1-2-3)7-9-8-5/h3H,1-2H2,(H,7,8,9)
• InChI Key: NNXCZGVLWBNSOY-UHFFFAOYSA-N
• Exact Mass: 186.97451
• Molecular Formula: C5H6BrN3
• Molecular Weight: 188.03
• SMILES: C1CC1C2=NNN=C2Br
• Topological: 41.6
• Monoisotopic Mass: 186.97451
• Synonyms: 1346948-93-3, 5-bromo-4-cyclopropyl-1H-1,2,3-triazole, 4-bromo-5-cyclopropyl-2H-triazole, 1H-1,2,3-Triazole, 5-broMo-4-cyclopropyl-, 4-bromo-5-cyclopropyl-1h-1,2,3-triazole, DTXSID101269206, AKOS027282788, CS-44324, DA-17604

Application

5-Bromo-4-cyclopropyl-1H-1,2,3-triazole serves as a versatile intermediate in medicinal chemistry for the synthesis of triazole-containing drug candidates. The bromine atom facilitates Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions, while the cyclopropyl group enhances metabolic stability in bioactive molecules. Researchers utilize this compound to develop kinase inhibitors, antimicrobial agents, and fluorescent probes via click chemistry. Its unique structure also enables the preparation of advanced materials with tailored electronic properties.

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