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CS-W001157 4
Total: USD 88.00

4-Chloro-7-fluoro-6-methoxyquinoline-3-carbonitrile

  • CAS No. 622369-40-8

  • Cat. No. CS-0001088
  • Molecule weight236.63
  • Purity≥97%
  • MDL No.MFCD06796587

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

4-Chloro-7-fluoro-6-methoxyquinoline-3-carbonitrile|CS-0001088

Structure of 622369-40-8

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General Information

  • CAS No. 622369-40-8
  • Cat. No. CS-0001088
  • Purity ≥97%
  • MDL No. MFCD06796587
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₆ClFN₂O
  • Molecular Weight 236.63
  • Synonym(s) 4-Chlor-7-fluor-6-methoxychinolin-3-carbonitril
  • SMILES N#CC1=C(Cl)C2=CC(OC)=C(F)C=C2N=C1

Synthesis

  • Route1
    • null|null
      1142189-70-5
    • ~46%
    • 4-Chloro-7-fluoro-6-methoxyquinoline-3-carbonitrile|CS-0001088
      622369-40-8

    References

    • Wyeth Patent: US2009/264427 A1, 2009 ; Location in patent: Page/Page column 13 ; US 20090264427 A1
  • Route2
    • 3-Quinolinecarbonitrile, 7-fluoro-1,4-dihydro-6-methoxy-4-oxo-|CS-0001174
      622369-38-4
    • ~75%
    • 4-Chloro-7-fluoro-6-methoxyquinoline-3-carbonitrile|CS-0001088
      622369-40-8

    References

    • Boschelli, Diane H.; Wang, Yanong D.; Johnson, Steve; Wu, Biqi; Ye, Fei; Barrios Sosa, Ana Carolina; Golas, Jennifer M.; Boschelli, Frank Journal of Medicinal Chemistry, 2004 , vol. 47, # 7 p. 1599 - 1601
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 47, # 7 p. 1599 - 1601

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

Quality Control

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Computational Chemistry Data

  • TPSA   45.91
  • LogP   2.90758
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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