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CS-W001157 4
Total: USD 88.00

4-Ethoxy-3-nitrobenzoic acid

  • CAS No. 59719-77-6

  • Cat. No. CS-0224748
  • Purity95+%
  • MDL No.None

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

4-Ethoxy-3-nitrobenzoic acid|CS-0224748

Structure of 59719-77-6

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General Information

  • CAS No. 59719-77-6
  • Cat. No. CS-0224748
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₅
  • Molecular Weight 211.17
  • Synonym(s) benzoic acid, 4-ethoxy-3-nitro-
  • SMILES CCOC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Synthesis

  • Route1
    • Ethyl 4-ethoxy-3-nitrobenzoate|CS-0462113
      937625-32-6
    • ~95%
    • 4-Ethoxy-3-nitrobenzoic acid|CS-0224748
      59719-77-6

    References

    • TAKEDA CHEMICAL INDUSTRIES, LTD. Patent: WO2004/46107 A1, 2004 ; Location in patent: Page 92-93 ; WO 2004/046107 A1
  • Route2

    References

    • US2012/129843 A1, ; US2012/129842 A1, ;
  • Route3

    References

    • WO2014/63199 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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   1.6917
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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