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CS-W001157 4
Total: USD 88.00

3-Benzamidobenzoic acid

  • CAS No. 587-54-2

  • Cat. No. CS-0035460
  • Molecule weight241.24
  • Purity≥97%
  • MDL No.MFCD00157843

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

3-Benzamidobenzoic acid|CS-0035460

Structure of 587-54-2

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General Information

  • CAS No. 587-54-2
  • Cat. No. CS-0035460
  • Purity ≥97%
  • MDL No. MFCD00157843
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁NO₃
  • Molecular Weight 241.24
  • Synonym(s) 3-BENZOYLAMINO-BENZOIC ACID
  • SMILES C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)C(=O)O

Synthesis

  • Route1
    • null|null
      39799-70-7
    • ~90%
    • In-stock
      3-Benzamidobenzoic acid|CS-0035460
      587-54-2

    References

    • Fundacion De La Comunidad Valenciana Centro De Investigacion Principe Felipe; Instituto de Salud Carlos III; Universidad de Valencia Patent: EP2292587 A1, 2011 ; Location in patent: Page/Page column 21 ;
  • Route2

    References

    • Mitsui Chemicals, Inc. Patent: EP1938685 A1, 2008 ; Location in patent: Page/Page column 143 ;
  • Route3
    • N-(m-tolyl)benzamide|CS-0322887
      582-77-4
    • ~30%
    • In-stock
      3-Benzamidobenzoic acid|CS-0035460
      587-54-2

    References

    • Lee, Chang Kiu; Ahn, Yu Mi Journal of Organic Chemistry, 1989 , vol. 54, # 15 p. 3744 - 3747

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   66.4
  • LogP   2.6371
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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