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CS-W001157 4
Total: USD 88.00

methyl 3-methoxy-5-nitrobenzoate

  • CAS No. 78238-13-8

  • Cat. No. CS-0038811
  • Purity≥97%
  • MDL No.None

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

methyl 3-methoxy-5-nitrobenzoate|CS-0038811

Structure of 78238-13-8

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General Information

  • CAS No. 78238-13-8
  • Cat. No. CS-0038811
  • Purity ≥97%
  • 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) Benzoic acid,3-methoxy-5-nitro-, methyl ester
  • SMILES COC1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

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
      2702-58-1
    • null|null
      865-34-9
    • ~54%
    • methyl 3-methoxy-5-nitrobenzoate|CS-0038811
      78238-13-8

    References

    • COMENTIS, INC.; PURDUE RESEARCH FOUNDATION Patent: WO2009/42694 A1, 2009 ; Location in patent: Page/Page column 99-100 ; WO 2009/042694 A1
  • Route3

    References

    • WO2008/9750 A2, ; Page/Page column 38 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   78.67
  • LogP   1.39
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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