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CS-W001157 4
Total: USD 88.00

4,6-Dibromo-2,1,3-benzoxadiazole

  • CAS No. 769-56-2

  • Cat. No. CS-0217324
  • Purity≥95%
  • MDL No.None

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

4,6-Dibromo-2,1,3-benzoxadiazole|CS-0217324

Structure of 769-56-2

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General Information

  • CAS No. 769-56-2
  • Cat. No. CS-0217324
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂Br₂N₂O
  • Molecular Weight 277.90
  • Synonym(s) 4,6-dibromobenzo[c][1,2,5]oxadiazole
  • SMILES C1=C(C2=NON=C2C=C1Br)Br

Description

4,6-Dibromo-2,1,3-benzoxadiazole features two bromine substituents at the 4 and 6 positions, enhancing its utility in cross-coupling reactions. The electron-deficient benzoxadiazole core provides strong fluorescence and stability under standard conditions. This compound serves as a robust scaffold for synthesizing advanced materials and functional dyes.

Application

4,6-Dibromo-2,1,3-benzoxadiazole serves as a versatile bifunctional building block in synthetic organic chemistry, enabling efficient construction of heterocyclic scaffolds through palladium-catalyzed cross-coupling reactions. The bromine substituents exhibit high reactivity and compatibility with standard coupling protocols, facilitating sequential functionalization. Its inherent stability under ambient conditions and ease of purification make it well-suited for use in medicinal chemistry and materials science applications requiring precise structural control.

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   38.92
  • LogP   2.7478
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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