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CS-W001157 4
Total: USD 88.00

2,5-Dibromo-1,3,4-thiadiazole

  • CAS No. 55981-29-8

  • Cat. No. CS-W021516
  • Purity≥96%
  • MDL No.MFCD00466397

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

2,5-Dibromo-1,3,4-thiadiazole|CS-W021516

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General Information

  • CAS No. 55981-29-8
  • Cat. No. CS-W021516
  • Purity ≥96%
  • MDL No. MFCD00466397
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂Br₂N₂S
  • Molecular Weight 243.91
  • Synonym(s) Dibromo-1,3,4-thiadiazole
  • SMILES BrC1=NN=C(Br)S1

Description

It is used as a flavoring agent and adjuvant. It is also employed as a substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

Application

2,5-Dibromo-1,3,4-thiadiazole serves as a versatile building block in heterocyclic synthesis, enabling efficient access to brominated aromatic systems via cross-coupling reactions. Its stability under standard reaction conditions and compatibility with palladium-catalyzed transformations facilitate the construction of complex scaffolds for medicinal chemistry and materials science applications. The molecule's defined regiochemistry supports predictable functionalization and offers excellent purification profiles, making it well-suited for iterative synthetic workflows.

Synthesis

  • Route1

    References

    • Xiao, Dong; Palani, Anandan; Sofolarides, Michael; Huang, Ying; Aslanian, Robert; Vaccaro, Henry; Hong, Liwu; McKittrick, Brian; West Jr., Robert E.; Williams, Shirley M.; Wu, Ren-Long; Hwa, Joyce; Sondey, Christopher; Lachowicz, Jean Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 2 p. 861 - 864
  • Route2

    References

    • WO2009/67579 A1, ; Page/Page column 41 ;
  • Route3

    References

    • US5847149 A1, ;

Safety Information

Download SDS
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   25.78
  • LogP   2.0631
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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