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CS-W001157 4
Total: USD 88.00

Ethyl 4,5,6-trichloronicotinate

  • CAS No. 181261-73-4

  • Cat. No. CS-0159338
  • Purity≥95%
  • MDL No.MFCD03695822

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

Ethyl 4,5,6-trichloronicotinate|CS-0159338

Structure of 181261-73-4

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General Information

  • CAS No. 181261-73-4
  • Cat. No. CS-0159338
  • Purity ≥95%
  • MDL No. MFCD03695822
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆Cl₃NO₂
  • Molecular Weight 254.50
  • Synonym(s) 4,5,6-Trichloronicotinic acid ethyl ester
  • SMILES ClC1=C(Cl)C(Cl)=NC=C1C(OCC)=O

Synthesis

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

    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
  • Route2

    References

    • den Hertog et al. Recueil des Travaux Chimiques des Pays-Bas, 1950 , vol. 69, p. 673,690

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   39.19
  • LogP   3.2185
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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