5-bromo-1-methylbenzotriazole

Name: 5-bromo-1-methylbenzotriazole
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CAS No. 944718-31-4
Cat. No. CS-0040388
Molecule weight212.05
Purity≥98%
MDL No.None

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5-bromo-1-methylbenzotriazole|CS-0040388

Structure of 944718-31-4

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General Information

CAS No. 944718-31-4
Cat. No. CS-0040388
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆BrN₃
Molecular Weight 212.05
Synonym(s) 5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole
SMILES CN1N=NC2=CC(Br)=CC=C21

Description

5-Bromo-1-methylbenzotriazole offers a reactive bromine handle and electron-deficient aromatic core, enabling direct coupling in transition-metal-catalyzed transformations. This bench-stable derivative integrates readily into complex heterocyclic architectures with minimal purification overhead.

Application

5-Bromo-1-methylbenzotriazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo substituent and electron-deficient heterocyclic core. The methyl group enhances solubility and provides a handle for further functionalization, while the benzotriazole scaffold offers excellent bench stability and compatibility with diverse reaction conditions.

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 1.7308
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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5-bromo-1-methylbenzotriazole

CAS No. 944718-31-4

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