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CS-W001157 4
Total: USD 88.00

4-Nitrobenzene-1,3-diol

  • CAS No. 3163-07-3

  • Cat. No. CS-0036812
  • Purity≥98%
  • MDL No.None

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

4-Nitrobenzene-1,3-diol|CS-0036812

Structure of 3163-07-3

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General Information

  • CAS No. 3163-07-3
  • Cat. No. CS-0036812
  • Purity ≥98%
  • MDL No. None
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅NO₄
  • Molecular Weight 155.11
  • Synonym(s) 4-nitroresorcinol
  • SMILES C1=C(C=C(C(=C1)[N+](=O)[O-])O)O

Application

4-Nitrobenzene-1,3-diol serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted heterocycles and functionalized aromatic systems. Its ortho-dihydroxy and para-nitro functionality offers complementary reactivity for selective transformations, including electrophilic substitution, metal-catalyzed coupling, and oxidation reactions. The compound exhibits sufficient bench stability for routine handling and facilitates purification via recrystallization or chromatography, making it a practical choice for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • DR. REDDY'S LABORATORIES LTD. Patent: WO2005/40102 A2, 2005 ; Location in patent: Page/Page column 64 ; WO 2005/040102 A2
  • Route2
    • null|null
      108-46-3
    • ~97%
    • In-stock
      4-Nitrobenzene-1,3-diol|CS-0036812
      3163-07-3

    References

    • Selvam, J. Jon Paul; Suresh; Rajesh; Reddy, S. Ravinder; Venkateswarlu Tetrahedron Letters, 2006 , vol. 47, # 15 p. 2507 - 2509
  • Route3
    • null|null
      98-95-3
    • ~91%
    • In-stock
      4-Nitrobenzene-1,3-diol|CS-0036812
      3163-07-3

    References

    • Nasreen, Aayesha; Adapa, Srinivas R. Organic Preparations and Procedures International, 2000 , vol. 32, # 4 p. 373 - 376

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   83.6
  • LogP   1.006
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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