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CS-W001157 4
Total: USD 88.00

6-Bromo-1,2-benzisoxazole

  • CAS No. 1060802-88-1

  • Cat. No. CS-W005194
  • Purity≥95%
  • MDL No.MFCD06659634

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

6-Bromo-1,2-benzisoxazole|CS-W005194

Structure of 1060802-88-1

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General Information

  • CAS No. 1060802-88-1
  • Cat. No. CS-W005194
  • Purity ≥95%
  • MDL No. MFCD06659634
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrNO
  • Molecular Weight 198.02
  • Synonym(s) 6-broMobenzo[d]isoxazole
  • SMILES BrC2=CC1=C(C=NO1)C=C2

Description

6-Bromo-1,2-benzisoxazole serves as a valuable heterocyclic scaffold in medicinal chemistry and synthetic methodology. This bench-stable, electron-deficient ring system integrates readily into pharmaceutical intermediates and functional materials. The bromine substituent enables direct coupling reactions, facilitating the construction of complex architectures through palladium-catalyzed cross-couplings.

Application

6-Bromo-1,2-benzisoxazole serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to functionalized heterocyclic scaffolds. Its bromine substituent facilitates palladium-catalyzed cross-coupling reactions, including Suzuki and Stille couplings, with high reliability. The benzisoxazole core exhibits excellent bench stability and compatibility with diverse reaction conditions, supporting the construction of complex molecular architectures relevant to drug discovery programs.

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   26.03
  • LogP   2.5903
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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