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CS-W001157 4
Total: USD 88.00

4-oxo-1,4-dihydroquinoline-3-carbonitrile

  • CAS No. 71083-59-5

  • Cat. No. CS-0001235
  • Molecule weight170.17
  • Purity95+%
  • MDL No.MFCD00957040

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

4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001235

Structure of 71083-59-5

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General Information

  • CAS No. 71083-59-5
  • Cat. No. CS-0001235
  • Purity 95+%
  • MDL No. MFCD00957040
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆N₂O
  • Molecular Weight 170.17
  • Synonym(s) None
  • SMILES N#CC1=CNC2=C(C=CC=C2)C1=O

Synthesis

  • Route1
    • null|null
      113290-32-7
    • ~%
    • 4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001235
      71083-59-5

    References

    • American Cyanamid Company Patent: US6384051 B1, 2002 ;
  • Route2
    • null|null
      113290-32-7
    • null|null
      75-05-8
    • ~%
    • 4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001235
      71083-59-5

    References

    • Wyeth Holdings Corporation Patent: EP973746 B1, 2003 ; Location in patent: Page/Page column 41 ; EP 0973746 B1
  • Route3
    • null|null
      2305-54-6
    • ~67%
    • 4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001235
      71083-59-5

    References

    • Cernuchova, Petra; Vo-Thanh, Giang; Milata, Viktor; Loupy, Andre Heterocycles, 2004 , vol. 64, p. 177 - 191

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-H312-H315-H319-H332-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   56.65
  • LogP   1.39978
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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