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

Name: 4,5-Dibromo-1-methyl-1H-1,2,3-triazole
Brand: ChemScene
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CAS No. 25537-64-8
Cat. No. CS-0039145
Purity≥97%
MDL No.MFCD00499501

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4,5-Dibromo-1-methyl-1H-1,2,3-triazole|CS-0039145

Structure of 25537-64-8

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General Information

CAS No. 25537-64-8
Cat. No. CS-0039145
Purity ≥97%
MDL No. MFCD00499501
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₃Br₂N₃
Molecular Weight 240.88
Synonym(s) None
SMILES CN1C(=C(Br)N=N1)Br

Description

4,5-Dibromo-1-methyl-1H-1,2,3-triazole is a brominated triazole scaffold featuring two adjacent bromine substituents on the five-membered ring. This electron-deficient heterocycle serves as a key building block for C–C and C–heteroatom coupling reactions, enabling efficient access to complex triazolyl architectures in medicinal chemistry and materials science. The methyl group enhances solubility and provides a handle for further functionalization.

Application

4,5-Dibromo-1-methyl-1H-1,2,3-triazole serves as a versatile dibrominated triazole building block for C–H functionalization and transition-metal-catalyzed cross-coupling reactions. Its stability under standard reaction conditions and orthogonal reactivity profile enable efficient incorporation into complex molecular architectures, particularly in the synthesis of heterocyclic scaffolds and bioactive compounds.

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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Computational Chemistry Data

TPSA 30.71
LogP 1.3401
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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

CAS No. 25537-64-8

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