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CS-W001157 4
Total: USD 88.00

3,5-Dibromo-1H-pyrazole

  • CAS No. 67460-86-0

  • Cat. No. CS-0051603
  • Purity≥97%
  • MDL No.MFCD00159645

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

3,5-Dibromo-1H-pyrazole|CS-0051603

Structure of 67460-86-0

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General Information

  • CAS No. 67460-86-0
  • Cat. No. CS-0051603
  • Purity ≥97%
  • MDL No. MFCD00159645
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₂Br₂N₂
  • Molecular Weight 225.87
  • Synonym(s) 3.5dibromo-1H-pyrazole
  • SMILES BrC1=CC(Br)=NN1

Description

3,5-Dibromo-1H-pyrazole features two bromine substituents at the 3 and 5 positions of the pyrazole ring, imparting high electron deficiency and enhanced reactivity. This configuration enables efficient coupling in cross-coupling reactions, particularly under palladium catalysis. The compound exhibits bench-stable handling properties and serves as a key building block for functionalized heterocycles in medicinal chemistry and materials science.

Application

3,5-Dibromo-1H-pyrazole serves as a versatile building block for the synthesis of brominated heterocyclic scaffolds, enabling regioselective functionalization in palladium-catalyzed cross-coupling reactions. Its bench-stable nature and tolerance to diverse reaction conditions facilitate straightforward incorporation into complex molecular architectures, particularly in medicinal chemistry and agrochemical research.

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   28.68
  • LogP   1.9347
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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