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CS-W001157 4
Total: USD 88.00

2,4-Dichloroquinoline-3-carbonitrile

  • CAS No. 69875-54-3

  • Cat. No. CS-0305152
  • Molecule weight223.06
  • Purity95+%
  • MDL No.None

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

2,4-Dichloroquinoline-3-carbonitrile|CS-0305152

Structure of 69875-54-3

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General Information

  • CAS No. 69875-54-3
  • Cat. No. CS-0305152
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₄Cl₂N₂
  • Molecular Weight 223.06
  • Synonym(s) 3-Cyano-2,4-dichloroquinoline
  • SMILES N#CC1=C(Cl)C2=CC=CC=C2N=C1Cl

Synthesis

  • Route1
    • null|null
      128366-07-4
    • ~92%
    • 2,4-Dichloroquinoline-3-carbonitrile|CS-0305152
      69875-54-3

    References

    • SENOMYX, INC. Patent: US2008/306053 A1, 2008 ; Location in patent: Page/Page column 73 ;
  • Route2
    • 2-Hydroxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0513492
      15000-43-8
    • ~72%
    • 2,4-Dichloroquinoline-3-carbonitrile|CS-0305152
      69875-54-3

    References

    • BAYER PHARMACEUTICALS CORPORATION Patent: WO2006/34491 A2, 2006 ; Location in patent: Page/Page column 134 ; WO 2006/034491 A2
  • Route3
    • null|null
      1356125-45-5
    • ~67%
    • 2,4-Dichloroquinoline-3-carbonitrile|CS-0305152
      69875-54-3

    References

    • Mao, Yongjun; Lin, Nan; Tian, Wang; Han, Xiaofeng; Han, Xiaobing; Huang, Ziwei; An, Jing Journal of Medicinal Chemistry, 2012 , vol. 55, # 3 p. 1346 - 1359

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   3.41328
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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