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CS-W001157 4
Total: USD 88.00

3-[(Ethoxycarbonyl)amino]benzoic acid

  • CAS No. 5180-76-7

  • Cat. No. CS-0037446
  • Purity95+%
  • MDL No.None

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

3-[(Ethoxycarbonyl)amino]benzoic acid|CS-0037446

Structure of 5180-76-7

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General Information

  • CAS No. 5180-76-7
  • Cat. No. CS-0037446
  • Purity 95+%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₄
  • Molecular Weight 209.20
  • Synonym(s) 3-[(Ethoxycarbonyl)Amino]Benzoic Acid(WX612048)
  • SMILES CCOC(=O)NC1=CC(=CC=C1)C(=O)O

Synthesis

  • Route1
    • 3-Aminobenzoic acid hydrochloride|CS-0074486
      15151-51-6
    • ~%
    • 3-[(Ethoxycarbonyl)amino]benzoic acid|CS-0037446
      5180-76-7

    References

    • Iwakura,Y. et al. Journal of Organic Chemistry, 1966 , vol. 31, p. 142 - 146
  • Route2

    References

    • Goswami, Shyamaprosad; Mahapatra, Ajit Kumar; Mukherjee, Reshmi Journal of the Chemical Society. Perkin Transactions 1, 2001 , # 20 p. 2717 - 2726
  • Route3

    References

    • Kricheldorf,H.R. Synthesis, 1970 , p. 592 - 593

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   75.63
  • LogP   1.9532
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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