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CS-W001157 4
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Methyl 4-hydroxy-2-nitrobenzoate

  • CAS No. 178758-50-4

  • Cat. No. CS-0448470
  • Purity≥98%
  • MDL No.None

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

Methyl 4-hydroxy-2-nitrobenzoate|CS-0448470

Structure of 178758-50-4

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General Information

  • CAS No. 178758-50-4
  • Cat. No. CS-0448470
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₅
  • Molecular Weight 197.14
  • Synonym(s) Benzoic acid,4-hydroxy-2-nitro-,methyl ester
  • SMILES COC(=O)C1=C(C=C(C=C1)O)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      4-Hydroxy-2-nitrobenzoic acid|CS-0004256
      74230-08-3
    • ~85%
    • In-stock
      Methyl 4-hydroxy-2-nitrobenzoate|CS-0448470
      178758-50-4

    References

    • WYETH Patent: US2005/70584 A1, 2005 ; Location in patent: Page/Page column 24 ;
  • Route2

    References

    • Drain et al. Journal of the Chemical Society, 1949 , p. 1498,1502

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   1.087
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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