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CS-W001157 4
Total: USD 88.00

3-(4-Cyanophenoxy)propanoic acid

  • CAS No. 58228-89-0

  • Cat. No. CS-0315809
  • Purity≥98%
  • MDL No.None

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

3-(4-Cyanophenoxy)propanoic acid|CS-0315809

Structure of 58228-89-0

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General Information

  • CAS No. 58228-89-0
  • Cat. No. CS-0315809
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃
  • Molecular Weight 191.18
  • Synonym(s) 3-(4-Cyanophenoxy)propionic Acid
  • SMILES C1=C(C=CC(=C1)OCCC(=O)O)C#N

Synthesis

  • Route1

    References

    • Buckle, Derek R.; Eggleston, Drake S.; Houge-Frydrych, Catherina S. V.; Pinto, Ivan L.; Readshaw, Simon A.; et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1991 , p. 2763 - 2772
  • Route2
    • null|null
      107-94-8
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~32%
    • 3-(4-Cyanophenoxy)propanoic acid|CS-0315809
      58228-89-0
    • 3-(4-Carbamoylphenoxy)propanoic acid|CS-0217712
      111140-92-2

    References

    • Sarges; Schnur; Belletire; Peterson Journal of Medicinal Chemistry, 1988 , vol. 31, # 1 p. 230 - 243

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   70.32
  • LogP   1.41178
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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