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CS-W001157 4
Total: USD 88.00

4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester

  • CAS No. 31602-11-6

  • Cat. No. CS-0061589
  • Molecule weight303.66
  • Purity≥98%
  • MDL No.None

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

4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester|CS-0061589

Structure of 31602-11-6

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General Information

  • CAS No. 31602-11-6
  • Cat. No. CS-0061589
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉ClF₃NO₂
  • Molecular Weight 303.66
  • Synonym(s) Ethyl 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
  • SMILES CCOC(=O)C1=CN=C2C(=C1Cl)C=CC=C2C(F)(F)F

Synthesis

  • Route1
    • null|null
      31601-87-3
    • ~78%
    • In-stock
      4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester|CS-0061589
      31602-11-6

    References

    • YUNGJIN PHARMACEUTICAL CO., LTD. Patent: WO2008/93940 A1, 2008 ; Location in patent: Page/Page column 67-69 ; WO 2008/093940 A1
  • Route2

    References

    • Hu, Baihua; Bernotas, Ron; Unwalla, Rayomand; Collini, Michael; Quinet, Elaine; Feingold, Irene; Goos-Nilsson, Annika; Wilhelmsson, Anna; Nambi, Ponnal; Evans, Mark; Wrobel, Jay Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 2 p. 689 - 693
  • Route3

    References

    • Zask; Gu; Albright; Du; Hogan; Levin; Chen; Killar; Sung; DiJoseph; Sharr; Roth; Skala; Jin; Cowling; Mohler; Barone; Black; March; Skotnicki Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 8 p. 1487 - 1490

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   4.0837
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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