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CS-W001157 4
Total: USD 88.00

5-Cyanobenzofuran-2-carboxylic acid

  • CAS No. 84102-75-0

  • Cat. No. CS-0005546
  • Molecule weight187.15
  • Purity98+%
  • MDL No.MFCD09837162

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

5-Cyanobenzofuran-2-carboxylic acid|CS-0005546

Structure of 84102-75-0

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General Information

  • CAS No. 84102-75-0
  • Cat. No. CS-0005546
  • Purity 98+%
  • MDL No. MFCD09837162
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₅NO₃
  • Molecular Weight 187.15
  • Synonym(s) 5-Cyano-2-benzo[b]furancarboxylic acid
  • SMILES O=C(C1=CC2=CC(C#N)=CC=C2O1)O

Synthesis

  • Route1
    • null|null
      80531-14-2
    • ~94%
    • 5-Cyanobenzofuran-2-carboxylic acid|CS-0005546
      84102-75-0

    References

    • Dann, Otto; Char, Helmut; Griessmeier, Helmut Liebigs Annalen der Chemie, 1982 , # 10 p. 1836 - 1869
  • Route2
    • Methyl 5-cyanobenzofuran-2-carboxylate|CS-0672768
      84102-77-2
    • ~51%
    • 5-Cyanobenzofuran-2-carboxylic acid|CS-0005546
      84102-75-0

    References

    • Sall, Daniel J.; Arfsten, Ann E.; Bastian, Jolie A.; Denney, Michael L.; Harms, Cathy S.; McCowan, Jefferson R.; Morin Jr., John M.; Rose, Jack W.; Scarborough, Robert M.; Smyth, Mark S.; Um, Suzane L.; Utterback, Barbara G.; Vasileff, Robert T.; Wikel, James H.; Wyss, Virginia L.; Jakubowski, Joseph A. Journal of Medicinal Chemistry, 1997 , vol. 40, # 18 p. 2843 - 2857
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 40, # 18 p. 2843 - 2857

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   74.23
  • LogP   2.00268
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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