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CS-W001157 4
Total: USD 88.00

1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one

  • CAS No. 398-50-5

  • Cat. No. CS-0291989
  • Molecule weight239.19
  • Purity≥97%
  • MDL No.None

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

1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one|CS-0291989

Structure of 398-50-5

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General Information

  • CAS No. 398-50-5
  • Cat. No. CS-0291989
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈F₃NO
  • Molecular Weight 239.19
  • Synonym(s) 1,1,1-trifluoro-3-quinolin-2-yl-propan-2-one
  • SMILES O=C(CC1=NC2=CC=CC=C2C=C1)C(F)(F)F

Synthesis

  • Route1
    • null|null
      91-63-4
    • null|null
      407-25-0
    • ~58%
    • 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one|CS-0291989
      398-50-5

    References

    • Fakhfakh, Mohammed A.; Fournet, Alain; Prina, Eric; Mouscadet, Jean-Francois; Franck, Xavier; Hocquemiller, Reynald; Figadere, Bruno Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 23 p. 5013 - 5023

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.9087
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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