5-Bromo-1H-benzotriazole

Name: 5-Bromo-1H-benzotriazole
Brand: ChemScene
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CAS No. 32046-62-1
Cat. No. CS-0030413
Purity≥96%
MDL No.MFCD00464510

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 32046-62-1

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Description

5-Bromo-1H-benzotriazole is a bench-stable heterocyclic reagent featuring a bromine substituent at the 5-position, enhancing its electrophilic character. This configuration supports efficient coupling reactions in synthetic organic chemistry, particularly in transition-metal-catalyzed transformations. The molecule’s electron-deficient triazole core facilitates regioselective functionalization and serves as a robust scaffold for advanced molecular architectures.

Application

5-Bromo-1H-benzotriazole serves as a versatile building block in synthetic organic chemistry, enabling efficient heterocyclic functionalization and transition metal-catalyzed coupling reactions. Its bromine substituent facilitates cross-coupling with boronic acids and other nucleophiles under palladium catalysis, while the benzotriazole core provides excellent stability and compatibility with diverse reaction conditions. The compound functions as a reliable scaffold for constructing complex molecular architectures in medicinal chemistry and materials science applications.

General Information

CAS No. 32046-62-1
Cat. No. CS-0030413
Purity ≥96%
MDL No. MFCD00464510
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrN₃
Molecular Weight 198.02
Synonym(s) 6-Bromo-1H-1,2,3-benzotriazole
SMILES BrC1=CC=C2N=NNC2=C1

Computational Chemistry Data

TPSA 41.57
LogP 1.7204
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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5-Bromo-1H-benzotriazole

CAS No. 32046-62-1

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