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CS-W001157 4
Total: USD 88.00

3-ethoxy-4-nitrobenzamide

  • CAS No. 917909-46-7

  • Cat. No. CS-0036909
  • Molecule weight210.19
  • Purity95+%
  • MDL No.None

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

3-ethoxy-4-nitrobenzamide|CS-0036909

Structure of 917909-46-7

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General Information

  • CAS No. 917909-46-7
  • Cat. No. CS-0036909
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O₄
  • Molecular Weight 210.19
  • Synonym(s) 3-Ethoxy-4-Nitrobenzamide(WX619155)
  • SMILES CCOC1=C(C=CC(=C1)C(=N)O)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      64-17-5
    • 3-Fluoro-4-nitrobenzamide|CS-0663630
      3556-52-3
    • ~69%
    • 3-ethoxy-4-nitrobenzamide|CS-0036909
      917909-46-7

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; AUSTEN, Matthias; BLACK, Phillip; BLACKABY, Wesley; DANILEWICZ, John; LINNEY, Ian; SCHREITER, Kay; SCHNEIDER, Martin Patent: WO2010/23181 A1, 2010 ; Location in patent: Page/Page column 50 ; WO 2010/023181 A1
  • Route2
    • Ethyl 3-ethoxy-4-nitrobenzoate|CS-0516177
      342044-63-7
    • ~%
    • 3-ethoxy-4-nitrobenzamide|CS-0036909
      917909-46-7

    References

    • Thieme Journal fuer Praktische Chemie (Leipzig), 1891 , vol. <2> 43, p. 464
  • Route3

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; HECKEL, Armin; HIMMELSBACH, Frank; LEHMANN-LINTZ, Thorsten; REDEMANN, Norbert; SAUER, Achim; THOMAS, Leo; BLACK, Phillip; BLACKABY, Wesley; DANILEWICZ, John; LINNEY, Ian; AUSTEN, Matthias; SCHNEIDER, Martin; SCHREITER, Kay Patent: WO2011/104338 A1, 2011 ; WO 2011/104338 A1

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   96.45
  • LogP   1.87687
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   4

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