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CS-W001157 4
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7-Bromo-1,3-benzoxazole

  • CAS No. 885270-14-4

  • Cat. No. CS-W003470
  • Purity≥95%
  • MDL No.MFCD08234619

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

7-Bromo-1,3-benzoxazole|CS-W003470

Structure of 885270-14-4

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General Information

  • CAS No. 885270-14-4
  • Cat. No. CS-W003470
  • Purity ≥95%
  • MDL No. MFCD08234619
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrNO
  • Molecular Weight 198.02
  • Synonym(s) 7-Bromobenzo[d]oxazole
  • SMILES Brc1cccc2c1ocn2

Description

7-Bromo-1,3-benzoxazole is a bench-stable heterocyclic scaffold featuring a bromine substituent at the 7-position, enabling direct functionalization in cross-coupling reactions. This electron-deficient oxazole integrates readily into pharmaceutical intermediates and advanced materials, offering predictable reactivity and enhanced solubility in polar organic solvents.

Application

7-Bromo-1,3-benzoxazole serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, facilitating the construction of biaryl and extended π-conjugated systems. The benzoxazole core provides metabolic stability and favorable pharmacophore properties, while the compound exhibits excellent bench stability and ease of purification, making it well-suited for scalable synthetic workflows.

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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