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Ethyl 6-nitrobenzofuran-2-carboxylate

  • CAS No. 69603-99-2

  • Cat. No. CS-0533056
  • Molecule weight235.19
  • Purity≥98%
  • MDL No.MFCD08703644

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

Ethyl 6-nitrobenzofuran-2-carboxylate|CS-0533056

Structure of 69603-99-2

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General Information

  • CAS No. 69603-99-2
  • Cat. No. CS-0533056
  • Purity ≥98%
  • MDL No. MFCD08703644
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₅
  • Molecular Weight 235.19
  • Synonym(s) None
  • SMILES O=C(C1=CC2=C(C=C([N+]([O-])=O)C=C2)O1)OCC

Synthesis

  • Route1

    References

    • Bensulong, Sofia; Boonsombat, Jutatip; Ruchirawat, Somsak Tetrahedron, 2013 , vol. 69, # 44 p. 9335 - 9348
  • Route2
    • null|null
      1459129-24-8
    • ~80%
    • Ethyl 6-nitrobenzofuran-2-carboxylate|CS-0533056
      69603-99-2
    • p-Anisic acid, ≥99%|CS-1268349
      100-09-4

    References

    • Bensulong, Sofia; Boonsombat, Jutatip; Ruchirawat, Somsak Tetrahedron, 2013 , vol. 69, # 44 p. 9335 - 9348
  • Route3

    References

    • PFIZER LIMITED; PFIZER INC. Patent: WO2005/82866 A2, 2005 ; Location in patent: Page/Page column 97 ; WO 2005/082866 A2

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

Quality Control

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Computational Chemistry Data

  • TPSA   82.58
  • LogP   2.5177
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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