5-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole

Name: 5-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole
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CAS No. 1333154-10-1
Cat. No. CS-M3626
Purity≥97%
MDL No.MFCD31540669

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FedEx Limited Quantities Ground	$0.00
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5-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole|CS-M3626

Structure of 1333154-10-1

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Description

5-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole features a highly electron-deficient triazole core flanked by two trifluoromethyl groups, enhancing its stability and reactivity in synthetic transformations. This robust scaffold integrates readily into pharmaceutical intermediates and functional materials, offering excellent bench-stability and compatibility with diverse reaction conditions.

Application

5-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole serves as a robust heterocyclic building block for medicinal chemistry and materials science. Its electron-deficient triazole core, combined with two strongly withdrawing trifluoromethyl groups, enhances metabolic stability and modulates electronic properties. The compound facilitates efficient coupling reactions and functions as a versatile scaffold in the construction of bioactive molecules and functionalized aromatic systems.

General Information

CAS No. 1333154-10-1
Cat. No. CS-M3626
Purity ≥97%
MDL No. MFCD31540669
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₅F₆N₃
Molecular Weight 281.16
Synonym(s) 3-(3,5-bis(trifluoromethyl)phenyl)-4H-1,2,4-triazole
SMILES FC(C1=CC(C(F)(F)F)=CC(C2=NC=NN2)=C1)(F)F

Computational Chemistry Data

TPSA 41.57
LogP 3.5093
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Safety Information

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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-P280-P302+P352

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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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5-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole

CAS No. 1333154-10-1

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