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CS-W001157 4
Total: USD 88.00

4-(2-Fluorophenoxy)benzoic acid

  • CAS No. 913828-84-9

  • Cat. No. CS-0321872
  • Purity≥95%
  • MDL No.None

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

4-(2-Fluorophenoxy)benzoic acid|CS-0321872

Structure of 913828-84-9

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General Information

  • CAS No. 913828-84-9
  • Cat. No. CS-0321872
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉FO₃
  • Molecular Weight 232.21
  • Synonym(s) Benzoic acid,4-(2-fluorophenoxy)
  • SMILES O=C(O)C1=CC=C(OC2=CC=CC=C2F)C=C1

Synthesis

  • Route1

    References

    • RESEARCH TRIANGLE INSTITUTE; CARROLL, Frank, I.; THOMAS, James, B.; NAVARRO, Hernan, A.; MASCARELLA, S., Wayne; RUNYON, Scott, P.; JIN, Chunyang; KORMOS, Chad, M. Patent: WO2013/86496 A2, 2013 ; Location in patent: Page/Page column 32 ;
  • Route2

    References

    • Daiichi Sankyo Company, Limited Patent: EP1873153 A1, 2008 ; Location in patent: Page/Page column 71 ;
  • Route3

    References

    • Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Kimura, Takako; Nara, Futoshi; Kawase, Yumi; Shimozato, Takaichi; Doi, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Watanabe, Nobuaki; Abe, Yasuyuki; Nishi, Takahide Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 4 p. 1788 - 1792

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   46.53
  • LogP   3.3162
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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