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CS-W001157 4
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3,4-Dibromo-1h-pyrazole

  • CAS No. 5932-18-3

  • Cat. No. CS-0116767
  • Purity≥97%
  • MDL No.None

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

3,4-Dibromo-1h-pyrazole|CS-0116767

Structure of 5932-18-3

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General Information

  • CAS No. 5932-18-3
  • Cat. No. CS-0116767
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₂Br₂N₂
  • Molecular Weight 225.87
  • Synonym(s) 1H-Pyrazole,3,4-dibromo
  • SMILES BrC1=CNN=C1Br

Description

3,4-Dibromo-1H-pyrazole features two bromine atoms positioned at the 3 and 4 ring carbons, imparting high electrophilicity and enabling direct functionalization in cross-coupling reactions. This bench-stable heterocycle serves as a key building block for bioactive molecules and materials with tailored electronic properties.

Application

3,4-Dibromo-1H-pyrazole serves as a valuable building block for the synthesis of brominated heterocyclic scaffolds, enabling efficient late-stage functionalization in medicinal chemistry and materials science. Its dual bromine substituents provide orthogonal reactivity for cross-coupling reactions, while the pyrazole core offers stability and favorable electronic properties. The compound exhibits excellent bench stability and is compatible with standard purification methods, facilitating its use in multi-step syntheses.

Synthesis

  • Route1

    References

    • Sandtorv, Alexander H.; Bjorsvik, Hans-Rene Advanced Synthesis and Catalysis, 2013 , vol. 355, # 2-3 p. 499 - 507

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-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   28.68
  • LogP   1.9347
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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