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CS-W001157 4
Total: USD 88.00

5-Hydroxy-4-methoxy-2-nitrobenzoic acid

  • CAS No. 31839-20-0

  • Cat. No. CS-0099784
  • Purity≥96%
  • MDL No.MFCD10666941

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

5-Hydroxy-4-methoxy-2-nitrobenzoic acid|CS-0099784

Structure of 31839-20-0

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General Information

  • CAS No. 31839-20-0
  • Cat. No. CS-0099784
  • Purity ≥96%
  • MDL No. MFCD10666941
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₆
  • Molecular Weight 213.14
  • Synonym(s) 3-hydroxy-4-methoxy-6-nitrobenzoic acid
  • SMILES O=C(C1=CC(O)=C(C=C1[N+]([O-])=O)OC)O

Synthesis

  • Route1

    References

    • Jacobi, Albrecht; Schul, Michael Patent: US2008/319194 A1, 2008 ; Location in patent: Page/Page column 5 ;
  • Route2
    • null|null
      4998-07-6
    • ~10%
    • In-stock
      5-Hydroxy-4-methoxy-2-nitrobenzoic acid|CS-0099784
      31839-20-0

    References

    • Helal, Christopher J.; Kang, Zhijun; Hou, Xinjun; Pandit, Jayvardhan; Chappie, Thomas A.; Humphrey, John M.; Marr, Eric S.; Fennell, Kimberly F.; Chenard, Lois K.; Fox, Carol; Schmidt, Christopher J.; Williams, Robert D.; Chapin, Douglas S.; Siuciak, Judith; Lebel, Lorraine; Menniti, Frank; Cianfrogna, Julia; Fonseca, Kari R.; Nelson, Frederick R.; O Connor, Rebecca; MacDougall, Mary; McDowell, Laura; Liras, Spiros Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4536 - 4547

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   109.9
  • LogP   1.0072
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   3

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