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

Name: 3-Phenyl-1H-1,2,4-triazole
Brand: ChemScene
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CAS No. 3357-42-4
Cat. No. CS-0208680
Purity≥95%
MDL No.MFCD00159717

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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 3357-42-4

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Description

3-Phenyl-1H-1,2,4-triazole features a planar heteroaromatic core with a phenyl group at the 3-position, enhancing π-conjugation and electronic delocalization. This scaffold delivers robust stability and favorable solubility in organic solvents, enabling straightforward incorporation into medicinal chemistry campaigns and materials synthesis.

Application

3-Phenyl-1H-1,2,4-triazole serves as a versatile heterocyclic building block in medicinal chemistry and materials science. Its aromatic triazole core exhibits strong hydrogen-bonding capacity and metabolic stability, enabling robust interactions in target binding. The phenyl substituent enhances π-stacking potential and facilitates further functionalization via electrophilic substitution or transition-metal-catalyzed coupling. Bench-stable and readily purified by recrystallization, it functions effectively in standard synthetic workflows for API development and ligand design.

General Information

CAS No. 3357-42-4
Cat. No. CS-0208680
Purity ≥95%
MDL No. MFCD00159717
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇N₃
Molecular Weight 145.16
Synonym(s) 5-phenyl-1H-1,2,4-triazole
SMILES C1=CC=C(C=C1)C2=NNC=N2

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-P330-P362-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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

CAS No. 3357-42-4

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