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CS-W001157 4
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6-iodo-4-oxo-1,4-dihydroquinoline-3-carbonitrile

  • CAS No. 872576-92-6

  • Cat. No. CS-0001160
  • Molecule weight296.06
  • Purity≥97%
  • MDL No.None

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

6-iodo-4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001160

Structure of 872576-92-6

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General Information

  • CAS No. 872576-92-6
  • Cat. No. CS-0001160
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₅IN₂O
  • Molecular Weight 296.06
  • Synonym(s) 6-iodo-4-oxo-1H-quinoline-3-carbonitrile
  • SMILES N#CC1=CNC(C=C2)=C(C=C2I)C1=O

Synthesis

  • Route1
    • Ethyl 2-cyano-3-((4-iodophenyl)amino)acrylate|CS-0968992
      709637-42-3
    • ~87%
    • 6-iodo-4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001160
      872576-92-6

    References

    • Chen, Li; Chen, Shaoqing; Michoud, Christophe Patent: US2006/4046 A1, 2006 ; Location in patent: Page/Page column 20 ; US 20060004046 A1
  • Route2

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; ENGELHARDT, Harald; KOFINK, Christiane; MCCONNELL, Darryl Patent: WO2011/131741 A1, 2011 ; WO 2011/131741 A1

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-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   56.65
  • LogP   2.00438
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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