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

Name: 3,5-Dibromo-1H-1,2,4-triazole
Brand: ChemScene
Availability: InStock
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CAS No. 7411-23-6
Cat. No. CS-W018614
Purity≥97%
MDL No.MFCD00487260

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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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3,5-Dibromo-1H-1,2,4-triazole|CS-W018614

Structure of 7411-23-6

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General Information

CAS No. 7411-23-6
Cat. No. CS-W018614
Purity ≥97%
MDL No. MFCD00487260
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂HBr₂N₃
Molecular Weight 226.86
Synonym(s) 3,5-Dibromo-1,2,4-triazole
SMILES C1(=N[NH]C(=N1)Br)Br

Description

3,5-Dibromo-1H-1,2,4-triazole features two bromine substituents at the 3 and 5 positions of the triazole ring, enhancing electrophilic reactivity for C–H functionalization. This bench-stable heterocycle integrates readily into synthetic scaffolds requiring halogen-directed coupling or metal-catalyzed transformations.

Application

3,5-Dibromo-1H-1,2,4-triazole serves as a versatile building block for brominated heterocyclic scaffolds in medicinal chemistry and materials science. Its well-defined regiochemistry enables selective functionalization at C3 and C5 positions, facilitating cross-coupling reactions and further derivatization. The compound exhibits good bench stability and is compatible with standard synthetic protocols, making it a reliable reagent for constructing triazole-based pharmacophores and advanced intermediates.

Synthesis

Route1
- In-stock
  
  288-88-0
- ~88%
- In-stock
  
  7411-23-6
References
- Synthesis, , # 9 p. 1357 - 1361
Route2
- 64-17-5
- 1083099-14-2
- ~77%
- 82299-33-0
- In-stock
  
  7411-23-6
References
- Russian Journal of Organic Chemistry, , vol. 45, # 1 p. 135 - 138

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

Quality Control

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Computational Chemistry Data

TPSA 41.57
LogP 1.3297
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Building Blocks for Pharmaceutical Ingredients

Key Words

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

CAS No. 7411-23-6

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