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CS-W001157 4
Total: USD 88.00

6-Chloro-4-(o-tolyl)nicotinamide

  • CAS No. 342417-00-9

  • Cat. No. CS-0499797
  • Molecule weight246.69
  • Purity≥98%
  • MDL No.None

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

6-Chloro-4-(o-tolyl)nicotinamide|CS-0499797

Structure of 342417-00-9

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General Information

  • CAS No. 342417-00-9
  • Cat. No. CS-0499797
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁ClN₂O
  • Molecular Weight 246.69
  • Synonym(s) 6-CHLORO-4-O-TOLYL-NICOTINAMIDE
  • SMILES CC1=CC=CC=C1C1=CC(Cl)=NC=C1C(N)=O

Synthesis

  • Route1
    • 6-Chloro-4-(o-tolyl)nicotinic acid|CS-0499796
      342416-99-3
    • ~98%
    • 6-Chloro-4-(o-tolyl)nicotinamide|CS-0499797
      342417-00-9

    References

    • Helsinn Healthcare SA; Fadini, Luca; Manini, Peter; Pietra, Claudio; Giuliano, Claudio; Lovati, Emanuela; Cannella, Roberta; Venturini, Alessio; Stella, Valentino J. Patent: US8426450 B1, 2013 ; Location in patent: Page/Page column 25 ;
  • Route2

    References

    • Helsinn Healthcare SA; Fadini, Luca; Manini, Peter; Pietra, Claudio; Giuliano, Claudio; Lovati, Emanuela; Cannella, Roberta; Venturini, Alessio; Stella, Valentino J. Patent: US8426450 B1, 2013 ;
  • Route3
    • null|null
      33872-80-9
    • ~%
    • 6-Chloro-4-(o-tolyl)nicotinamide|CS-0499797
      342417-00-9

    References

    • Helsinn Healthcare SA; Fadini, Luca; Manini, Peter; Pietra, Claudio; Giuliano, Claudio; Lovati, Emanuela; Cannella, Roberta; Venturini, Alessio; Stella, Valentino J. Patent: US8426450 B1, 2013 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   55.98
  • LogP   2.80932
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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