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CS-W001157 4
Total: USD 88.00

N-(tert-Butyl)-6-chloronicotinamide

  • CAS No. 115309-58-5

  • Cat. No. CS-0097451
  • Purity≥97%
  • MDL No.MFCD08460992

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

N-(tert-Butyl)-6-chloronicotinamide|CS-0097451

Structure of 115309-58-5

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General Information

  • CAS No. 115309-58-5
  • Cat. No. CS-0097451
  • Purity ≥97%
  • MDL No. MFCD08460992
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃ClN₂O
  • Molecular Weight 212.68
  • Synonym(s) N-tert-butyl-6-chloropyridine-3-carboxamide
  • SMILES O=C(C1=CN=C(C=C1)Cl)NC(C)(C)C

Synthesis

  • Route1

    References

    • F. HOFFMANN-LA ROCHE AG Patent: WO2004/67007 A1, 2004 ; Location in patent: Page/Page column 3 ;
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 71, # 5 p. 2000 - 2008
  • Route3

    References

    • Hoffmann-Emery, Fabienne; Hilpert, Hans; Scalone, Michelangelo; Waldmeier, Pius Journal of Organic Chemistry, 2006 , vol. 71, # 5 p. 2000 - 2008

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   41.99
  • LogP   2.2633
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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