6-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole

Name: 6-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole
Brand: ChemScene
Availability: InStock
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CAS No. 1083181-43-4
Cat. No. CS-W018841
Purity≥96%
MDL No.MFCD11559050

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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6-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole|CS-W018841

Structure of 1083181-43-4

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General Information

CAS No. 1083181-43-4
Cat. No. CS-W018841
Purity ≥96%
MDL No. MFCD11559050
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆BrN₃
Molecular Weight 212.05
Synonym(s) 6-Bromo-1-methyl-1H-benzotriazole
SMILES CN1N=NC2=CC=C(Br)C=C21

Description

6-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole features a brominated benzene ring fused to a methylated 1,2,3-triazole, delivering a robust scaffold for transition metal-catalyzed coupling reactions. The electron-deficient triazole core enhances reactivity in Pd-mediated transformations, while the methyl group improves solubility and stability under standard conditions. This compound serves as a key building block in medicinal chemistry and materials science.

Application

6-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. The bromine atom enables palladium-catalyzed cross-coupling reactions, while the methyl-substituted triazole core provides stability and orthogonal reactivity. Its bench-stable nature and compatibility with common synthetic transformations make it ideal for iterative functionalization in medicinal chemistry workflows.

Safety Information

Download SDS

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 1.7308
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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6-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole

CAS No. 1083181-43-4

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