1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole)

Name: 1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole)
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CAS No. 7221-63-8
Cat. No. CS-0110429
Purity≥98%
MDL No.MFCD02684938

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1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole)|CS-0110429

Structure of 7221-63-8

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Description

1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole) features a rigid, planar scaffold with two triazole rings fused to a central benzene core. This architecture enables strong π-stacking and directional hydrogen bonding, enhancing its utility in supramolecular assemblies and metal coordination. The molecule exhibits excellent thermal stability and solubility in common organic solvents, facilitating use in solution-phase synthesis and materials integration.

Application

1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole) serves as a robust heterocyclic scaffold for medicinal chemistry and materials science, featuring two triazole rings fused to a benzene core. Its stability under standard reaction conditions enables reliable use in copper-catalyzed azide-alkyne cycloadditions (CuAAC), facilitating efficient conjugation and library synthesis. The molecule exhibits excellent functional group tolerance and predictable solubility, supporting straightforward purification and integration into complex molecular architectures.

General Information

CAS No. 7221-63-8
Cat. No. CS-0110429
Purity ≥98%
MDL No. MFCD02684938
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄N₆
Molecular Weight 160.14
Synonym(s) 4,5-d']bis([1,2,3]triazole)
SMILES C12=CC3=C(N=NN3)C=C1NN=N2

Computational Chemistry Data

TPSA 83.14
LogP 0.2292
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS02
Signal Word : Danger	UN#: 1325
Class : 4.1	Packing Group : Ⅲ
Hazard Statements : H228
Precautionary Statements : P210-P240-P241-P280-P370+P378

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1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole)

CAS No. 7221-63-8

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