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CS-W001157 4
Total: USD 88.00

4-(3-Cyanophenyl)benzoic acid

  • CAS No. 5728-45-0

  • Cat. No. CS-0206356
  • Purity≥95%
  • MDL No.MFCD04117359

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

4-(3-Cyanophenyl)benzoic acid|CS-0206356

Structure of 5728-45-0

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General Information

  • CAS No. 5728-45-0
  • Cat. No. CS-0206356
  • Purity ≥95%
  • MDL No. MFCD04117359
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉NO₂
  • Molecular Weight 223.23
  • Synonym(s) 3'-Cyan-biphenyl-4-carbonsaeure
  • SMILES C1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)O)C#N

Synthesis

  • Route1

    References

    • Zhang, Penglie; Bao, Liang; Zuckett, Jingmei F.; Goldman, Erick A.; Jia, Zhaozhong J.; Arfsten, Ann; Edwards, Susan; Sinha, Uma; Hutchaleelaha, Athiwat; Park, Gary; Lambing, Joseph L.; Hollenbach, Stanley J.; Scarborough, Robert M.; Zhu, Bing-Yan Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 4 p. 983 - 987
  • Route2

    References

    • Byron,D.J. et al. Journal of the Chemical Society [Section] C: Organic, 1966 , p. 840 - 845
  • Route3
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    • 4-(3-Cyanophenyl)benzoic acid|CS-0206356
      5728-45-0

    References

    • Byron,D.J. et al. Journal of the Chemical Society [Section] C: Organic, 1966 , p. 840 - 845

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   61.09
  • LogP   2.92348
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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