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CS-W001157 4
Total: USD 88.00

3-Bromobenzenesulfonyl fluoride

  • CAS No. 454-65-9

  • Cat. No. CS-0101418
  • Purity≥97%
  • MDL No.MFCD22053310

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

3-Bromobenzenesulfonyl fluoride|CS-0101418

Structure of 454-65-9

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General Information

  • CAS No. 454-65-9
  • Cat. No. CS-0101418
  • Purity ≥97%
  • MDL No. MFCD22053310
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄BrFO₂S
  • Molecular Weight 239.06
  • Synonym(s) 3-Bromobenzene-1-sulfonyl fluoride
  • SMILES O=S(C1=CC=CC(Br)=C1)(F)=O

Application

3-Bromobenzenesulfonyl fluoride serves as a versatile building block for sulfonamide-based scaffolds in medicinal chemistry and agrochemical synthesis. Its reactivity enables direct nucleophilic substitution with amines to form stable sulfonyl amides, while the bromine substituent allows further functionalization via palladium-catalyzed cross-coupling. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows.

Synthesis

  • Route1

    References

    • GLAXO GROUP LIMITED Patent: WO2004/80986 A1, 2004 ; Location in patent: Page 8 ; WO 2004/080986 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.1073
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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