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CS-W001157 4
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4-(4-Bromophenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one

  • CAS No. 3033744-22-5

  • Cat. No. CS-1242218
  • Molecule weight268.11
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4-(4-Bromophenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one|CS-1242218

Structure of 3033744-22-5

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General Information

  • CAS No. 3033744-22-5
  • Cat. No. CS-1242218
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀BrN₃O
  • Molecular Weight 268.11
  • Synonym(s) None
  • SMILES O=C1N(C)N=C(C)N1C2=CC=C(C=C2)Br

Description

4-(4-Bromophenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one features a brominated phenyl group conjugated to a stable triazolone core, offering enhanced electron-withdrawing character and improved solubility in organic media. This scaffold serves as a robust building block for bioactive molecule synthesis, particularly in medicinal chemistry applications requiring halogenated aromatic integration.

Application

4-(4-Bromophenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one serves as a versatile building block for the synthesis of triazolone-containing heterocycles. Its brominated aryl group enables palladium-catalyzed cross-coupling reactions, while the 3-one functionality provides a site for nucleophilic addition and derivatization. The molecule exhibits bench stability, ease of purification, and compatibility with standard synthetic workflows, making it suitable for medicinal chemistry 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

Quality Control

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Computational Chemistry Data

  • TPSA   N/A
  • LogP   N/A
  • H_Acceptors   N/A
  • H_Donors   N/A
  • Rotatable_Bonds   N/A

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