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
Molecule weight160.14
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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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

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.

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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Computational Chemistry Data

TPSA 83.14
LogP 0.2292
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 0

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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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