4-Phenyl-1H-1,2,3-triazole

Name: 4-Phenyl-1H-1,2,3-triazole
Brand: ChemScene
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CAS No. 1680-44-0
Cat. No. CS-0171311
Purity≥98%
MDL No.MFCD00760404

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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 1680-44-0

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Description

4-Phenyl-1H-1,2,3-triazole features a rigid, electron-rich triazole core linked to a phenyl group, enabling robust π-stacking and dipole interactions. This structural motif enhances solubility in organic media while maintaining bench-stable handling under standard conditions. The compound serves as a key scaffold for bioactive molecule design and functional material integration.

Application

4-Phenyl-1H-1,2,3-triazole serves as a robust bioisostere in medicinal chemistry, enabling the construction of diverse heterocyclic scaffolds via copper-catalyzed azide-alkyne cycloaddition (CuAAC). Its aromatic phenyl group enhances metabolic stability and facilitates π–π stacking interactions. The triazole ring exhibits excellent bench stability, tolerates a wide range of functional groups, and simplifies purification due to its crystalline nature—making it a practical building block for API development and combinatorial libraries.

General Information

CAS No. 1680-44-0
Cat. No. CS-0171311
Purity ≥98%
MDL No. MFCD00760404
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇N₃
Molecular Weight 145.16
Synonym(s) None
SMILES C1(C2=CC=CC=C2)=CN=NN1

Computational Chemistry Data

TPSA 41.57
LogP 1.4717
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

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

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Phenyl-1H-1,2,3-triazole

CAS No. 1680-44-0

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