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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 7116-16-7

  • Cat. No. CS-0107856
  • Purity≥98%
  • MDL No.MFCD00191329

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

4-Chlorobenzo[c][1,2,5]oxadiazole|CS-0107856

Structure of 7116-16-7

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General Information

  • CAS No. 7116-16-7
  • Cat. No. CS-0107856
  • Purity ≥98%
  • MDL No. MFCD00191329
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃ClN₂O
  • Molecular Weight 154.55
  • Synonym(s) Chlorobenzofurazan
  • SMILES ClC1=CC=CC2=NON=C21

Description

4-Chlorobenzo[c][1,2,5]oxadiazole features a rigid, electron-deficient heterocyclic core that enhances stability and facilitates efficient coupling in cross-coupling reactions. This bench-stable compound integrates readily into synthetic pathways requiring halogen-functionalized aryl building blocks.

Application

4-Chlorobenzo[c][1,2,5]oxadiazole serves as a versatile heterocyclic building block in medicinal chemistry and materials science. Its electron-deficient oxadiazole core enables efficient coupling reactions, while the chloro substituent provides a handle for palladium-catalyzed functionalization. The compound exhibits good bench stability and facilitates the construction of complex scaffolds through orthogonal reactivity.

Synthesis

  • Route1
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    • ~%
    • In-stock
      4-Chlorobenzo[c][1,2,5]oxadiazole|CS-0107856
      7116-16-7

    References

    • Journal of Medicinal Chemistry, , vol. 11, # 2 p. 305 - 311
  • Route2
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      608-31-1
    • ~%
    • In-stock
      4-Chlorobenzo[c][1,2,5]oxadiazole|CS-0107856
      7116-16-7

    References

    • Tetrahedron Letters, , vol. 52, # 20 p. 2533 - 2535

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   38.92
  • LogP   1.8762
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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