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CS-W001157 4
Total: USD 88.00

4-Bromobenzo[c][1,2,5]oxadiazole

  • CAS No. 35036-93-2

  • Cat. No. CS-0343148
  • Purity≥97%
  • MDL No.MFCD18451264

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

4-Bromobenzo[c][1,2,5]oxadiazole|CS-0343148

Structure of 35036-93-2

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General Information

  • CAS No. 35036-93-2
  • Cat. No. CS-0343148
  • Purity ≥97%
  • MDL No. MFCD18451264
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃BrN₂O
  • Molecular Weight 199.00
  • Synonym(s) 4-bromo-2,1,3-benzoxodiazole
  • SMILES BrC1=CC=CC2=NON=C21

Description

4-Bromobenzo[c][1,2,5]oxadiazole features a fused oxadiazole ring system with a bromine substituent at the para position, enabling direct functionalization in cross-coupling reactions. This electron-deficient heterocycle serves as a stable, bench-ready scaffold for constructing complex bioactive molecules and advanced materials.

Application

4-Bromobenzo[c][1,2,5]oxadiazole serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized heterocycles via palladium-catalyzed cross-coupling reactions. The bromine substituent provides high reactivity in Suzuki, Stille, and Negishi couplings, while the oxadiazole core offers enhanced metabolic stability and favorable electronic properties for pharmaceutical scaffolds. Bench-stable and readily purified by flash chromatography, it functions reliably in multi-step syntheses requiring orthogonal reactivity and structural precision.

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-P405-P501

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Computational Chemistry Data

  • TPSA   38.92
  • LogP   1.9853
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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