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CS-W001157 4
Total: USD 88.00

5-(4-Cyanophenyl)furan-2-carboxylic acid

  • CAS No. 52938-94-0

  • Cat. No. CS-0217441
  • Molecule weight213.19
  • Purity95+%
  • MDL No.None

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

5-(4-Cyanophenyl)furan-2-carboxylic acid|CS-0217441

Structure of 52938-94-0

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General Information

  • CAS No. 52938-94-0
  • Cat. No. CS-0217441
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₇NO₃
  • Molecular Weight 213.19
  • Synonym(s) 5-(4-Cyanophenyl)-furane-2-carboxylic acid
  • SMILES C1=C(C=CC(=C1)C2=CC=C(C(=O)O)O2)C#N

Synthesis

  • Route1

    References

    • Bielawski, Krzysztof; Bielawska, Anna; Wolczynski, Slawomir Archiv der Pharmazie, 2001 , vol. 334, # 7 p. 235 - 240
  • Route2

    References

    • Kort, Michael E.; Drizin, Irene; Gregg, Robert J.; Scanio, Marc J. C.; Shi, Lei; Gross, Michael F.; Atkinson, Robert N.; Johnson, Matthew S.; Pacofsky, Gregory J.; Thomas, James B.; Carroll, William A.; Krambis, Michael J.; Liu, Dong; Shieh, Char-Chang; Zhang, XuFeng; Hernandez, Gricelda; Mikusa, Joseph P.; Zhong, Chengmin; Joshi, Shailen; Honore, Prisca; Roeloffs, Rosemarie; Marsh, Kennan C.; Murray, Bernard P.; Liu, Jinrong; Werness, Stephen; Faltynek, Connie R.; Krafte, Douglas S.; Jarvis, Michael F.; Chapman, Mark L.; Marron, Brian E. Journal of Medicinal Chemistry, 2008 , vol. 51, # 3 p. 407 - 416

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-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   74.23
  • LogP   2.51648
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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