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CS-W001157 4
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Methyl 5-nitro-2-benzofurancarboxylate

  • CAS No. 104862-11-5

  • Cat. No. CS-0016879
  • Purity≥97%
  • MDL No.MFCD03407784

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

Methyl 5-nitro-2-benzofurancarboxylate|CS-0016879

Structure of 104862-11-5

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General Information

  • CAS No. 104862-11-5
  • Cat. No. CS-0016879
  • Purity ≥97%
  • MDL No. MFCD03407784
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₅
  • Molecular Weight 221.17
  • Synonym(s) 5-Nitrobenzofuran-2-carboxylic acid methyl ester; Methyl 5-nitrobenzofuran-2-carboxylate
  • SMILES O=C(C1=CC2=CC([N+]([O-])=O)=CC=C2O1)OC

Synthesis

  • Route1

    References

    • STERIX LIMITED Patent: WO2005/42513 A1, 2005 ; Location in patent: Page/Page column 59 ;
  • Route2
    • In-stock
      5-Nitrosalicylaldehyde|CS-M1907
      97-51-8
    • null|null
      868-26-8
    • ~65%
    • In-stock
      Methyl 5-nitro-2-benzofurancarboxylate|CS-0016879
      104862-11-5

    References

    • Boger, Dale L.; Fink, Brian E.; Hedrick, Michael P. Journal of the American Chemical Society, 2000 , vol. 122, # 27 p. 6382 - 6394
  • Route3

    References

    • Pfizer Inc. Patent: US2003/187053 A1, 2003 ;

Safety Information

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Computational Chemistry Data

  • TPSA   82.58
  • LogP   2.1276
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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