2-(4-Bromophenyl)-1H-1,2,4-triazol-3(2H)-one

Name: 2-(4-Bromophenyl)-1H-1,2,4-triazol-3(2H)-one
Brand: ChemScene
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CAS No. 197074-69-4
Cat. No. CS-0376966
Purity≥98%
MDL No.None

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2-(4-Bromophenyl)-1H-1,2,4-triazol-3(2H)-one|CS-0376966

Structure of 197074-69-4

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General Information

CAS No. 197074-69-4
Cat. No. CS-0376966
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrN₃O
Molecular Weight 240.06
Synonym(s) 2-(4-Bromophenyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
SMILES O=C1N(C2=CC=C(Br)C=C2)NC=N1

Description

This 2-(4-bromophenyl)-1H-1,2,4-triazol-3(2H)-one features a brominated phenyl group appended to a triazolone scaffold, delivering enhanced electronic and steric character. The system integrates readily into medicinal chemistry campaigns targeting kinase inhibition and antimicrobial agents. Bench-stable and moisture-tolerant, it serves as a robust building block for diverse heterocyclic synthesis under standard conditions.

Application

2-(4-Bromophenyl)-1H-1,2,4-triazol-3(2H)-one serves as a versatile building block for the synthesis of triazolyl-substituted biaryl scaffolds. Its bromine functionality enables palladium-catalyzed cross-coupling reactions, including Suzuki and Stille couplings, facilitating access to complex heterocyclic systems. The triazolone core exhibits good bench stability and tolerates a range of functional groups, enabling efficient incorporation into medicinal chemistry campaigns and materials science applications.

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 50.68
LogP 1.3231
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(4-Bromophenyl)-1H-1,2,4-triazol-3(2H)-one

CAS No. 197074-69-4

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