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CS-W001157 4
Total: USD 88.00

5-(Ethoxycarbonyl)nicotinicacid

  • CAS No. 84254-37-5

  • Cat. No. CS-0172324
  • Purity≥97%
  • MDL No.None

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

5-(Ethoxycarbonyl)nicotinicacid|CS-0172324

Structure of 84254-37-5

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General Information

  • CAS No. 84254-37-5
  • Cat. No. CS-0172324
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 5-(Ethoxycarbonyl)nicotinic acid
  • SMILES CCOC(=O)C1=CN=CC(=C1)C(=O)O

Synthesis

  • Route1

    References

    • Bohlmann et al. Justus Liebigs Annalen der Chemie, 1954 , vol. 587, p. 162,167 Chemische Berichte, 1956 , vol. 89, p. 792,796
  • Route2

    References

    • Li, James J,; Hamann, Lawrence G.; Ruan, Zheming; Cooper, Christopher B.; Wu, Shung C.; Simpkins, Ligaya M.; Wang, Haixia; Nayeem, Akbar; Krystek, Stanley R. Patent: US2006/235028 A1, 2006 ; Location in patent: Page/Page column 30 ; US 20060235028 A1

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

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Computational Chemistry Data

  • TPSA   76.49
  • LogP   0.9565
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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