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3,5-Dibromo-1-isopropyl-1H-1,2,4-triazole

  • CAS No. 1240567-67-2

  • Cat. No. CS-0188055
  • Purity≥97%
  • MDL No.None

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

3,5-Dibromo-1-isopropyl-1H-1,2,4-triazole|CS-0188055

Structure of 1240567-67-2

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General Information

  • CAS No. 1240567-67-2
  • Cat. No. CS-0188055
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇Br₂N₃
  • Molecular Weight 268.94
  • Synonym(s) None
  • SMILES CC(C)N1C(=NC(=N1)Br)Br

Description

3,5-Dibromo-1-isopropyl-1H-1,2,4-triazole features a sterically hindered triazole core bearing two bromine substituents at electron-deficient positions, enabling efficient coupling in cross-coupling reactions. The isopropyl group enhances solubility and stability under standard conditions, while the dibromo functionality facilitates sequential functionalization in synthetic sequences.

Application

3,5-Dibromo-1-isopropyl-1H-1,2,4-triazole serves as a versatile building block in heterocyclic synthesis, enabling efficient construction of triazolyl scaffolds through palladium-catalyzed cross-coupling reactions. The dibromo substitution pattern provides orthogonal reactivity for sequential functionalization, while the isopropyl group enhances solubility and stability under standard reaction conditions. This compound facilitates the rapid assembly of complex molecular architectures relevant to medicinal chemistry and agrochemical development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   30.71
  • LogP   2.384
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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