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CS-W001157 4
Total: USD 88.00

3-Hydroxy-2-nitrobenzoic acid

  • CAS No. 602-00-6

  • Cat. No. CS-D1622
  • Purity≥95%
  • MDL No.MFCD00017003

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

3-Hydroxy-2-nitrobenzoic acid|CS-D1622

Structure of 602-00-6

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General Information

  • CAS No. 602-00-6
  • Cat. No. CS-D1622
  • Purity ≥95%
  • MDL No. MFCD00017003
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₅
  • Molecular Weight 183.12
  • Synonym(s) NSC 159685; 2-NITRO-3-HYDROXYBENZOIC ACID
  • SMILES O=C(O)C1=CC=CC(O)=C1[N+]([O-])=O

Description

3-Hydroxy-2-nitrobenzoic acid features a hydroxyl group ortho to a nitro substituent on a benzoic acid scaffold, enabling bifunctional reactivity. This arrangement supports direct conjugation in synthetic routes and enhances solubility in polar solvents. The molecule exhibits robust stability under standard bench conditions and facilitates efficient coupling reactions in pharmaceutical intermediates and functional materials.

Synthesis

  • Route1

    References

    • PFIZER PRODUCTS INC. Patent: WO2007/125405 A2, 2007 ; Location in patent: Page/Page column 24; 72 ; WO 2007/125405 A2
  • Route2
    • null|null
      1426317-25-0
    • ~0%
    • null|null
      1426317-26-1
    • In-stock
      3-Hydroxy-2-nitrobenzoic acid|CS-D1622
      602-00-6

    References

    • Jabri, Salman Y.; Overman, Larry E. Journal of the American Chemical Society, 2013 , vol. 135, # 11 p. 4231 - 4234
  • Route3
    • null|null
      5345-39-1
    • ~%
    • In-stock
      3-Hydroxy-2-nitrobenzoic acid|CS-D1622
      602-00-6

    References

    • Journal of the American Chemical Society, , vol. 76, p. 5579,5584

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-P305+P351+P338-P330-P362+P364-P403+P233-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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