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CS-W001157 4
Total: USD 88.00

5-(Trifluoromethyl)-1H-indole-2-carboxylic acid

  • CAS No. 496946-78-2

  • Cat. No. CS-0050743
  • Purity≥98%
  • MDL No.None

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

5-(Trifluoromethyl)-1H-indole-2-carboxylic acid|CS-0050743

Structure of 496946-78-2

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General Information

  • CAS No. 496946-78-2
  • Cat. No. CS-0050743
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆F₃NO₂
  • Molecular Weight 229.16
  • Synonym(s) 5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID
  • SMILES OC(=O)C1=CC2=C(N1)C=CC(=C2)C(F)(F)F

Synthesis

  • Route1
    • Pyruvic acid, ≥97%|CS-1268663
      127-17-3
    • In-stock
      4-Amino-3-iodobenzotrifluoride|CS-W007562
      163444-17-5
    • ~85%
    • In-stock
      5-(Trifluoromethyl)-1H-indole-2-carboxylic acid|CS-0050743
      496946-78-2

    References

    • Robertson, William M.; Kastrinsky, David B.; Hwang, Inkyu; Boger, Dale L. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 9 p. 2722 - 2725
  • Route2
    • 4-(Trifluoromethyl)aniline Leflunomide Impurity|CS-0229655
      455-14-1
    • ~%
    • In-stock
      5-(Trifluoromethyl)-1H-indole-2-carboxylic acid|CS-0050743
      496946-78-2

    References

    • Robertson, William M.; Kastrinsky, David B.; Hwang, Inkyu; Boger, Dale L. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 9 p. 2722 - 2725

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.8849
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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