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CS-W001157 4
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5-bromo-4-fluoro-3-nitro-1H-pyrrolo[2,3-b]pyridine

  • CAS No. 1172068-33-5

  • Cat. No. CS-0004476
  • Molecule weight260.02
  • Purity≥98%
  • MDL No.MFCD12024704

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

5-bromo-4-fluoro-3-nitro-1H-pyrrolo[2,3-b]pyridine|CS-0004476

Structure of 1172068-33-5

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General Information

  • CAS No. 1172068-33-5
  • Cat. No. CS-0004476
  • Purity ≥98%
  • MDL No. MFCD12024704
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrFN₃O₂
  • Molecular Weight 260.02
  • Synonym(s) 5-Bromo-4-Fluoro-3-Nitro-1H-Pyrrolo[2,3-B]Pyridine(WX637190)
  • SMILES FC1=C2C([N+]([O-])=O)=CNC2=NC=C1Br

Synthesis

  • Route1

    References

    • ARRAY BIOPHARMA INC. Patent: WO2009/89352 A1, 2009 ; Location in patent: Page/Page column 104 ; WO 2009/089352 A1
  • Route2

    References

    • VERNALIS (RandD) LIMITED; STOKES, Stephen; GRAHAM, Christoper John; RAY, Stuart Christopher; STEFANIAK, Emma Jayne Patent: WO2013/114113 A1, 2013 ;
  • Route3

    References

    • VERNALIS (RandD) LIMITED; STOKES, Stephen; GRAHAM, Christoper John; RAY, Stuart Christopher; STEFANIAK, Emma Jayne Patent: WO2013/114113 A1, 2013 ;

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   71.82
  • LogP   2.3727
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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