4,5-Dibromo-2-methyl-2H-1,2,3-triazole

Name: 4,5-Dibromo-2-methyl-2H-1,2,3-triazole
Brand: ChemScene
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CAS No. 28938-17-2
Cat. No. CS-0145485
Purity≥98%
MDL No.MFCD26383581

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FedEx Limited Quantities Ground	$0.00
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4,5-Dibromo-2-methyl-2H-1,2,3-triazole|CS-0145485

Structure of 28938-17-2

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Description

4,5-Dibromo-2-methyl-2H-1,2,3-triazole features a densely functionalized triazole core with bromine substituents at the 4 and 5 positions and a methyl group at C2. This electron-deficient scaffold enables direct incorporation into cross-coupling reactions and facilitates rapid derivatization in synthetic workflows. The molecule exhibits enhanced stability under standard handling conditions and serves as a key building block for heterocyclic libraries.

Application

4,5-Dibromo-2-methyl-2H-1,2,3-triazole serves as a versatile building block in heterocyclic synthesis, enabling efficient access to triazolyl-substituted scaffolds via palladium-catalyzed cross-coupling reactions. The dibromo functionality provides orthogonal reactivity for sequential functionalization, while the methyl group enhances stability and modulates electronic properties. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

General Information

CAS No. 28938-17-2
Cat. No. CS-0145485
Purity ≥98%
MDL No. MFCD26383581
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₃Br₂N₃
Molecular Weight 240.88
Synonym(s) 4,5-dibromo-2-methyl-triazole
SMILES CN1N=C(Br)C(Br)=N1

Computational Chemistry Data

TPSA 30.71
LogP 1.3401
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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4,5-Dibromo-2-methyl-2H-1,2,3-triazole

CAS No. 28938-17-2

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