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Methyl 3-hydroxy-5-nitrobenzoate

  • CAS No. 55076-32-9

  • Cat. No. CS-0035962
  • Purity≥97%
  • MDL No.None

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

Methyl 3-hydroxy-5-nitrobenzoate|CS-0035962

Structure of 55076-32-9

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General Information

  • CAS No. 55076-32-9
  • Cat. No. CS-0035962
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₅
  • Molecular Weight 197.15
  • Synonym(s) methyl 3-hydroxy-5-nitro-benzoate
  • SMILES COC(=O)C1=CC(=CC(=C1)O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Bristol-Myers Squibb Company Patent: US2010/227894 A1, 2010 ; Location in patent: Page/Page column 73 ; US 20100227894 A1
  • Route2
    • null|null
      67-56-1
    • In-stock
      3-Hydroxy-5-nitrobenzoic acid|CS-0098711
      78238-14-9
    • ~83%
    • In-stock
      Methyl 3-hydroxy-5-nitrobenzoate|CS-0035962
      55076-32-9

    References

    • Abraham; Gazze; Kennedy; Mokotoff Journal of Medicinal Chemistry, 1984 , vol. 27, # 12 p. 1549 - 1559
  • Route3

    References

    • US2002/165275 A1, ;

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   1.087
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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