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CS-W001157 4
Total: USD 88.00

6-Chloro-N,N-diethylpyridine-3-carboxamide

  • CAS No. 54864-96-9

  • Cat. No. CS-0209964
  • Purity95+%
  • MDL No.MFCD09816012

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

6-Chloro-N,N-diethylpyridine-3-carboxamide|CS-0209964

Structure of 54864-96-9

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General Information

  • CAS No. 54864-96-9
  • Cat. No. CS-0209964
  • Purity 95+%
  • MDL No. MFCD09816012
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃ClN₂O
  • Molecular Weight 212.68
  • Synonym(s) 6-Chloro-N,N-diethylnicotinamide
  • SMILES O=C(C1=CC=C(Cl)N=C1)N(CC)CC

Synthesis

  • Route1
    • 2-Chloronicotinoyl chloride|CS-W017427
      49609-84-9
    • null|null
      109-89-7
    • ~95%
    • 6-Chloro-N,N-diethylpyridine-3-carboxamide|CS-0209964
      54864-96-9

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2007/71358 A1, 2007 ; Location in patent: Page/Page column 23-24 ; WO 2007/071358 A1
  • Route2

    References

    • Hoffmann-La Roche Inc. Patent: US6297375 B1, 2001 ;
  • Route3

    References

    • Birman, Vladimir B.; Li, Ximin; Jiang, Hui; W. Uffman, Eric Tetrahedron, 2006 , vol. 62, # 2-3 p. 285 - 294

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   33.2
  • LogP   2.217
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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