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4-chloro-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

  • CAS No. 1196507-58-0

  • Cat. No. CS-B0557
  • Molecule weight220.58
  • Purity≥98%
  • MDL No.MFCD15529110

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

4-chloro-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine|CS-B0557

Structure of 1196507-58-0

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General Information

  • CAS No. 1196507-58-0
  • Cat. No. CS-B0557
  • Purity ≥98%
  • MDL No. MFCD15529110
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄ClF₃N₂
  • Molecular Weight 220.58
  • Synonym(s) 4-chloro-5-trifluoromethyl-1H-pyrrolo[2,3-b]pyridine
  • SMILES FC(F)(F)C1=CN=C2NC=CC2=C1Cl

Synthesis

  • Route1
    • In-stock
      4-Chloro-1-(phenylsulfonyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine|CS-B0579
      1196507-57-9
    • ~90%
    • In-stock
      4-chloro-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine|CS-B0557
      1196507-58-0

    References

    • ARRAY BIOPHARMA INC. Patent: WO2009/140320 A1, 2009 ; Location in patent: Page/Page column 99 ; WO 2009/140320 A1
  • Route2

    References

    • WO2013/114113 A1, ;
  • Route3
    • 4-chloro-5-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine|CS-0005221
      1015609-83-2
    • ~%
    • In-stock
      4-chloro-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine|CS-B0557
      1196507-58-0

    References

    • WO2013/114113 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   3.2351
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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