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CS-W001157 4
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Methyl 5-hydroxy-2-nitrobenzoate

  • CAS No. 59216-77-2

  • Cat. No. CS-0210731
  • Purity≥97%
  • MDL No.MFCD00100487

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

Methyl 5-hydroxy-2-nitrobenzoate|CS-0210731

Structure of 59216-77-2

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General Information

  • CAS No. 59216-77-2
  • Cat. No. CS-0210731
  • Purity ≥97%
  • MDL No. MFCD00100487
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₅
  • Molecular Weight 197.14
  • Synonym(s) Benzoic acid, 5-hydroxy-2-nitro-, methyl ester
  • SMILES COC(=O)C1=C(C=CC(=C1)O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Dams, Gery Karel Julia; Vereycken, Inge; Van Acker, Koenraad Lodewijk August; Gustin, Emmanuel Marie Paul Ernest; Verschueren, Wim Gaston; Ohagen, Asa Catrine Patent: US2010/280268 A1, 2010 ; Location in patent: Page/Page column 36-37 ;
  • Route2

    References

    • Gustavsson, Anna-Lena; Jendeberg, Lena; Roussel, Patrick; Slater, Martin; Thor, Markus Patent: US2003/73862 A1, 2003 ;
  • Route3

    References

    • Pan, Wen-Bin; Wei, Li-Mei; Wei, Li-Lan; Wu, Chin-Chung; Wu, Yang-Chang Journal of the Chinese Chemical Society, 2005 , vol. 52, # 1 p. 173 - 180

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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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