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CS-W001157 4
Total: USD 88.00

4,5-Difluoro-1H-indole-2-carboxylic acid

  • CAS No. 884494-61-5

  • Cat. No. CS-0054241
  • Purity≥95%
  • MDL No.MFCD03095188

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

4,5-Difluoro-1H-indole-2-carboxylic acid|CS-0054241

Structure of 884494-61-5

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General Information

  • CAS No. 884494-61-5
  • Cat. No. CS-0054241
  • Purity ≥95%
  • MDL No. MFCD03095188
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₂NO₂
  • Molecular Weight 197.14
  • Synonym(s) None
  • SMILES O=C(C(N1)=CC2=C1C=CC(F)=C2F)O

Synthesis

  • Route1
    • Pyruvic acid, ≥97%|CS-1268663
      127-17-3
    • In-stock
      3,4-Difluoro-2-iodoaniline|CS-0111950
      161958-41-4
    • ~66%
    • In-stock
      4,5-Difluoro-1H-indole-2-carboxylic acid|CS-0054241
      884494-61-5

    References

    • Kumar, Nag S.; Amandoron, Emily A.; Cherkasov, Artem; Brett Finlay; Gong, Huansheng; Jackson, Linda; Kaur, Sukhbir; Lian, Tian; Moreau, Anne; Labriere, Christophe; Reiner, Neil E.; See, Raymond H.; Strynadka, Natalie C.; Thorson, Lisa; Wong, Edwin W.Y.; Worrall, Liam; Zoraghi, Roya; Young, Robert N. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 24 p. 7069 - 7082

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   53.09
  • LogP   2.1443
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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