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CS-W001157 4
Total: USD 88.00

4,5,6-Trichloronicotinic acid

  • CAS No. 847608-28-0

  • Cat. No. CS-0158922
  • Purity≥97%
  • MDL No.MFCD11044391

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

4,5,6-Trichloronicotinic acid|CS-0158922

Structure of 847608-28-0

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General Information

  • CAS No. 847608-28-0
  • Cat. No. CS-0158922
  • Purity ≥97%
  • MDL No. MFCD11044391
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂Cl₃NO₂
  • Molecular Weight 226.44
  • Synonym(s) 4,5,6-Trichloropyridine-3-carboxylic acid
  • SMILES O=C(C1=C(Cl)C(Cl)=C(Cl)N=C1)O

Synthesis

  • Route1
    • Ethyl 4,5,6-trichloronicotinate|CS-0159338
      181261-73-4
    • 5-Chloro-4,6-dihydroxynicotinic acid ethyl ester|CS-0006579
      846541-71-7
    • ~%
    • 4,5,6-Trichloronicotinic acid|CS-0158922
      847608-28-0

    References

    • Wallace, Eli; Hurley, Brian; Yang, Hong Woon; Lyssikatos, Joseph; Blake, Jim; Marlow, Allison L. Patent: US2005/54701 A1, 2005 ; US 20050054701 A1
  • Route2
    • Ethyl 4,5,6-trichloronicotinate|CS-0159338
      181261-73-4
    • ~%
    • 4,5,6-Trichloronicotinic acid|CS-0158922
      847608-28-0

    References

    • Wallace, Eli M.; Lyssikatos, Joseph; Blake, James F.; Seo, Jeongbeob; Yang, Hong Woon; Yeh, Tammie C.; Perrier, Michele; Jarski, Heidi; Marsh, Vivienne; Poch, Gregory; Livingston, Michelle Goyette; Otten, Jennifer; Hingorani, Gary; Woessner, Rich; Lee, Patrice; Winkler, James; Koch, Kevin Journal of Medicinal Chemistry, 2006 , vol. 49, # 2 p. 441 - 444
  • Route3

    References

    • Wallace, Eli M.; Lyssikatos, Joseph; Blake, James F.; Seo, Jeongbeob; Yang, Hong Woon; Yeh, Tammie C.; Perrier, Michele; Jarski, Heidi; Marsh, Vivienne; Poch, Gregory; Livingston, Michelle Goyette; Otten, Jennifer; Hingorani, Gary; Woessner, Rich; Lee, Patrice; Winkler, James; Koch, Kevin Journal of Medicinal Chemistry, 2006 , vol. 49, # 2 p. 441 - 444

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.74
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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