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CS-W001157 4
Total: USD 88.00

4-(3-Fluorophenoxy)butanoic acid

  • CAS No. 87411-27-6

  • Cat. No. CS-0250664
  • Purity≥98%
  • MDL No.None

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

4-(3-Fluorophenoxy)butanoic acid|CS-0250664

Structure of 87411-27-6

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General Information

  • CAS No. 87411-27-6
  • Cat. No. CS-0250664
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁FO₃
  • Molecular Weight 198.19
  • Synonym(s) 4-(3-Fluoro-phenoxy)-butyric acid
  • SMILES C1=CC(=CC(=C1)OCCCC(=O)O)F

Synthesis

  • Route1
    • Ethyl 4-(3-fluorophenoxy)butanoate|CS-0581219
      418810-84-1
    • ~96%
    • 4-(3-Fluorophenoxy)butanoic acid|CS-0250664
      87411-27-6

    References

    • SUNSHINE LAKE PHARMA CO., LTD.; ZHANG, Yingjun; ZHANG, Jiancun; WANG, Xiaojun; LIN, Runfeng; CAO, Shengtian; WANG, Zhaohe; LI, Jing Patent: WO2014/12360 A1, 2014 ; Location in patent: Paragraph 00489 ;
  • Route2
    • 3-(3-Fluorophenoxy)propan-1-ol|CS-0507876
      133077-41-5
    • ~%
    • 4-(3-Fluorophenoxy)butanoic acid|CS-0250664
      87411-27-6

    References

    • FMC Corporation Patent: US5521147 A1, 1996 ;
  • Route3

    References

    • Barrett, Irene; Meegan, Mary J.; Hughes, Rosario B.; Carr, Miriam; Knox, Andrew J.S.; Artemenko, Natalia; Golfis, Georgia; Zisterer, Daniela M.; Lloyd, David G. Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 21 p. 9554 - 9573

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-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.0693
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   5

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