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CS-W001157 4
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1,3-Dibromo-2-fluoro-5-nitrobenzene

  • CAS No. 361436-26-2

  • Cat. No. CS-0098710
  • Purity≥98%
  • MDL No.MFCD07779294

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

1,3-Dibromo-2-fluoro-5-nitrobenzene|CS-0098710

Structure of 361436-26-2

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General Information

  • CAS No. 361436-26-2
  • Cat. No. CS-0098710
  • Purity ≥98%
  • MDL No. MFCD07779294
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂Br₂FNO₂
  • Molecular Weight 298.89
  • Synonym(s) None
  • SMILES O=[N+](C1=CC(Br)=C(F)C(Br)=C1)[O-]

Description

1,3-Dibromo-2-fluoro-5-nitrobenzene features a highly electron-deficient aromatic core, enabling efficient coupling in cross-coupling reactions. The strategic placement of bromo and nitro groups facilitates selective functionalization, while the fluorine atom enhances metabolic stability and modulates electronic properties. This compound serves as a key building block for advanced pharmaceutical intermediates and specialty materials.

Application

1,3-Dibromo-2-fluoro-5-nitrobenzene serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The fluorine and nitro groups enhance electrophilicity at specific ring positions, facilitating regioselective functionalization. Its bench-stable crystalline form simplifies handling and purification, making it well-suited for iterative synthesis of complex heterocyclic scaffolds and API intermediates.

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   43.14
  • LogP   3.2589
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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