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CS-W001157 4
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4-hydroxy-7-(trifluoromethyl)-3-Quinolinecarbonitrile

  • CAS No. 318-44-5

  • Cat. No. CS-0001283
  • Molecule weight238.17
  • Purity≥97%
  • MDL No.None

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

4-hydroxy-7-(trifluoromethyl)-3-Quinolinecarbonitrile|CS-0001283

Structure of 318-44-5

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General Information

  • CAS No. 318-44-5
  • Cat. No. CS-0001283
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₅F₃N₂O
  • Molecular Weight 238.17
  • Synonym(s) 4-Oxo-7-trifluoromethyl-1,4-dihydro-quinoline-3-carbonitrile
  • SMILES N#CC1=C(O)C(C(N=C1)=C2)=CC=C2C(F)(F)F

Synthesis

  • Route1
    • Ethyl (E)-2-cyano-3-((3-(trifluoromethyl)phenyl)amino)acrylate|CS-0559279
      349-73-5
    • ~%
    • 4-hydroxy-7-(trifluoromethyl)-3-Quinolinecarbonitrile|CS-0001283
      318-44-5

    References

    • Snyder; Jones Journal of the American Chemical Society, 1946 , vol. 68, p. 1253
  • Route2
    • null|null
      98-16-8
    • ~%
    • 4-hydroxy-7-(trifluoromethyl)-3-Quinolinecarbonitrile|CS-0001283
      318-44-5

    References

    • Snyder; Jones Journal of the American Chemical Society, 1946 , vol. 68, p. 1253

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

Quality Control

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Computational Chemistry Data

  • TPSA   56.91
  • LogP   2.83088
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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