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CS-W001157 4
Total: USD 88.00

6-Nitrobenzofuran-2-carboxylic acid

  • CAS No. 64209-68-3

  • Cat. No. CS-0466061
  • Molecule weight207.14
  • Purity≥98%
  • MDL No.None

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

6-Nitrobenzofuran-2-carboxylic acid|CS-0466061

Structure of 64209-68-3

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General Information

  • CAS No. 64209-68-3
  • Cat. No. CS-0466061
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅NO₅
  • Molecular Weight 207.14
  • Synonym(s) 6-Nitro-1-benzofuran-2-carboxylic acid
  • SMILES C=1(OC=2C=C([N+]([O-])=O)C=CC2C1)C(=O)O

Synthesis

  • Route1
    • Ethyl 6-nitrobenzofuran-2-carboxylate|CS-0533056
      69603-99-2
    • ~91%
    • 6-Nitrobenzofuran-2-carboxylic acid|CS-0466061
      64209-68-3

    References

    • PFIZER LIMITED; PFIZER INC. Patent: WO2005/82866 A2, 2005 ; Location in patent: Page/Page column 98 ; WO 2005/082866 A2
  • Route2

    References

    • Einhorn, Jacques; Demerseman, Pierre; Royer, Rene Canadian Journal of Chemistry, 1983 , vol. 61, p. 2287 - 2290
  • Route3

    References

    • BAYER HEALTHCARE AG Patent: WO2004/13136 A1, 2004 ; Location in patent: Page/Page column 46-47 ;

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   93.58
  • LogP   2.0392
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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