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CS-W001157 4
Total: USD 88.00

1-(5-Fluoro-1H-indol-3-yl)ethanone

  • CAS No. 99532-53-3

  • Cat. No. CS-0534786
  • Purity≥98%
  • MDL No.None

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

1-(5-Fluoro-1H-indol-3-yl)ethanone|CS-0534786

Structure of 99532-53-3

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General Information

  • CAS No. 99532-53-3
  • Cat. No. CS-0534786
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈FNO
  • Molecular Weight 177.18
  • Synonym(s) 5-fluoro-3-acetylindole
  • SMILES O=C(C)C1=CNC2=C1C=C(F)C=C2

Synthesis

  • Route1

    References

    • Pais, Godwin C. G.; Zhang, Xuechun; Marchand, Christophe; Neamati, Nouri; Cowansage, Kiriana; Svarovskaia, Evguenia S.; Pathak, Vinay K.; Tang, Yun; Nicklaus, Marc; Pommier, Yves; Burke Jr., Terrence R. Journal of Medicinal Chemistry, 2002 , vol. 45, # 15 p. 3184 - 3194
  • Route2

    References

    • Ferro, Stefania; De Luca, Laura; Lo Surdo, Giuseppa; Morreale, Francesca; Christ, Frauke; Debyser, Zeger; Gitto, Rosaria; Chimirri, Alba Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 7 p. 2269 - 2279
  • Route3
    • 5-Fluoro-1-(phenylsulfonyl)-1h-indole|CS-0680371
      99532-44-2
    • ~%
    • 1-(5-Fluoro-1H-indol-3-yl)ethanone|CS-0534786
      99532-53-3

    References

    • Ketcha, Daniel M.; Gribble, Gordon W. Journal of Organic Chemistry, 1985 , vol. 50, # 26 p. 5451 - 5457

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.86
  • LogP   2.5096
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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