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2-Chloro-N-phenylisonicotinamide

  • CAS No. 80194-83-8

  • Cat. No. CS-0151372
  • Molecule weight232.67
  • Purity≥97%
  • MDL No.MFCD09817650

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

2-Chloro-N-phenylisonicotinamide|CS-0151372

Structure of 80194-83-8

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General Information

  • CAS No. 80194-83-8
  • Cat. No. CS-0151372
  • Purity ≥97%
  • MDL No. MFCD09817650
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉ClN₂O
  • Molecular Weight 232.67
  • Synonym(s) 2-Chloro-N-phenyl-isonicotinamide
  • SMILES ClC1=NC=CC(C(NC2=CC=CC=C2)=O)=C1

Synthesis

  • Route1
    • null|null
      65287-34-5
    • null|null
      74497-02-2
    • ~89%
    • 2-Chloro-N-phenylisonicotinamide|CS-0151372
      80194-83-8

    References

    • ACTELION PHARMACEUTICALS LTD Patent: WO2005/40173 A1, 2005 ; Location in patent: Page/Page column 33-34 ;
  • Route2
    • null|null
      14178-44-0
    • ~65%
    • 2-Chloro-N-phenylisonicotinamide|CS-0151372
      80194-83-8

    References

    • Epsztajn, Jan; Bieniek, Adam; Plotka, Mieczyslaw W.; Suwald, Krzysztof Tetrahedron, 1989 , vol. 45, # 23 p. 7469 - 7476
  • Route3

    References

    • EPIZYME, INC.; EISAI CO., LTD.; KUNTZ, Kevin, Wayne; CHESWORTH, Richard; DUNCAN, Kenneth, William; KEILHACK, Heike; WARHOLIC, Natalie; KLAUS, Christine; ZHENG, Wanjun Patent: WO2012/142513 A1, 2012 ; WO 2012/142513 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.99
  • LogP   2.9873
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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