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Methyl 2-hydroxy-5-methyl-3-nitrobenzoate

  • CAS No. 67191-44-0

  • Cat. No. CS-0454778
  • Purity≥98%
  • MDL No.None

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

Methyl 2-hydroxy-5-methyl-3-nitrobenzoate|CS-0454778

Structure of 67191-44-0

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General Information

  • CAS No. 67191-44-0
  • Cat. No. CS-0454778
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₅
  • Molecular Weight 211.17
  • Synonym(s) Methyl 2-hydroxy-5-methyl-3-nitrobenzenecarboxylate
  • SMILES CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)OC

Synthesis

  • Route1

    References

    • Katz, Howard E.; Cram, Donald J. Journal of the American Chemical Society, 1984 , vol. 106, # 17 p. 4977 - 4987
  • Route2
    • null|null
      67-56-1
    • 2-Hydroxy-5-methyl-3-nitrobenzoic acid|CS-1290493
      59672-93-4
    • ~%
    • Methyl 2-hydroxy-5-methyl-3-nitrobenzoate|CS-0454778
      67191-44-0

    References

    • DE2846931 , ; Chem.Abstr., , vol. 91, # 74626
  • Route3
    • null|null
      7664-93-9
    • 2-Hydroxy-5-methyl-3-nitrobenzoic acid|CS-1290493
      59672-93-4
    • ~%
    • Methyl 2-hydroxy-5-methyl-3-nitrobenzoate|CS-0454778
      67191-44-0
    • null|null
      70978-43-7

    References

    • US4442115 A1, ;

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   1.39542
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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