3-Methyl-5-phenyl-1h-1,2,4-triazole

Name: 3-Methyl-5-phenyl-1h-1,2,4-triazole
Brand: ChemScene
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CAS No. 3213-91-0
Cat. No. CS-0216854
Purity≥97%
MDL No.None

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3-Methyl-5-phenyl-1h-1,2,4-triazole|CS-0216854

Structure of 3213-91-0

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Description

3-Methyl-5-phenyl-1H-1,2,4-triazole features a rigid heterocyclic core with distinct electron-rich triazole functionality and a phenyl substituent enhancing π-conjugation. This bench-stable compound integrates readily into molecular scaffolds for medicinal chemistry and materials science applications.

Application

3-Methyl-5-phenyl-1H-1,2,4-triazole serves as a versatile heterocyclic building block in medicinal chemistry and catalysis. Its electron-rich triazole core enables reliable coupling reactions and metal coordination, while the methyl and phenyl substituents provide steric and electronic modulation. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for use in API intermediate synthesis and ligand development.

General Information

CAS No. 3213-91-0
Cat. No. CS-0216854
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉N₃
Molecular Weight 159.19
Synonym(s) 5-Methyl-3-phenyl-1H-1,2,4-triazol
SMILES CC1=NNC(C2=CC=CC=C2)=N1

Computational Chemistry Data

TPSA 41.57
LogP 1.78012
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+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Methyl-5-phenyl-1h-1,2,4-triazole

CAS No. 3213-91-0

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