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CS-W001157 4
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2-Methoxy-5-nitrobenzoic acid

  • CAS No. 40751-89-1

  • Cat. No. CS-0042693
  • Purity≥97%
  • MDL No.MFCD00527902

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

2-Methoxy-5-nitrobenzoic acid|CS-0042693

Structure of 40751-89-1

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General Information

  • CAS No. 40751-89-1
  • Cat. No. CS-0042693
  • Purity ≥97%
  • MDL No. MFCD00527902
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₅
  • Molecular Weight 197.14
  • Synonym(s) None
  • SMILES COC1=C(C=C(C=C1)[N+]([O-])=O)C(O)=O

Synthesis

  • Route1
    • In-stock
      2-Chloro-5-nitrobenzoic acid|CS-0017179
      2516-96-3
    • null|null
      124-41-4
    • ~80%
    • In-stock
      2-Methoxy-5-nitrobenzoic acid|CS-0042693
      40751-89-1

    References

    • F2G LTD Patent: WO2006/123145 A1, 2006 ; Location in patent: Page/Page column 61-62 ;
  • Route2

    References

    • Almog, Joseph; Klein, Asne; Sokol, Anat; Sasson, Yoel; Sonenfeld, Dana; Tamiri, Tsippy Tetrahedron Letters, 2006 , vol. 47, # 49 p. 8651 - 8652
  • Route3

    References

    • Paulis, Tomas de; Janowsky, Aaron; Kessler, Robert M.; Clanton, Jeffrey A.; Smith, Howard E. Journal of Medicinal Chemistry, 1988 , vol. 31, # 10 p. 2027 - 2033

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   89.67
  • LogP   1.3016
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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