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CS-W001157 4
Total: USD 88.00

4-Nitrosalicylic acid

  • CAS No. 619-19-2

  • Cat. No. CS-W007918
  • Molecule weight183.12
  • Purity≥95%
  • MDL No.MFCD00071505

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

4-Nitrosalicylic acid|CS-W007918

Structure of 619-19-2

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General Information

  • CAS No. 619-19-2
  • Cat. No. CS-W007918
  • Purity ≥95%
  • MDL No. MFCD00071505
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₅
  • Molecular Weight 183.12
  • Synonym(s) 2-Hydroxy-4-nitrobenzoic Acid; 4-Nitrosalicylic acid
  • SMILES C1=C(C(=CC=C1[N+](=O)[O-])C(O)=O)O

Description

2-Hydroxy-4-nitrobenzoic acid is metabolized to 2,4-dihydroxybenzoic acid (2,4-DHBA) by a mono-oxygenase with the concomitant release of chloride and nitrite ions.

Synthesis

  • Route1

    References

    • THE SCRIPPS RESEARCH INSTITUTE; YU, Jin-quan Patent: WO2011/37929 A2, 2011 ; Location in patent: Page/Page column 14; 19-20 ;
  • Route2
    • In-stock
      2-Methoxy-4-nitrobenzoic acid|CS-0073038
      2597-56-0
    • null|null
      10294-33-4
    • ~94%
    • In-stock
      4-Nitrosalicylic acid|CS-W007918
      619-19-2

    References

    • Gong, Leyi Patent: US2004/176416 A1, 2004 ; Location in patent: Page/Page column 8; 9; 10 ; US 20040176416 A1
  • Route3

    References

    • Gong, Leyi; Hogg, J. Heather; Collier, James; Wilhelm, Robert S.; Soderberg, Carol Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 20 p. 3597 - 3600

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   100.67
  • LogP   0.9986
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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