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CS-W001157 4
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4-Fluoro-3-phenoxybenzoic acid

  • CAS No. 77279-89-1

  • Cat. No. CS-0523193
  • Purity≥98%
  • MDL No.MFCD03617287

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

4-Fluoro-3-phenoxybenzoic acid|CS-0523193

Structure of 77279-89-1

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General Information

  • CAS No. 77279-89-1
  • Cat. No. CS-0523193
  • Purity ≥98%
  • MDL No. MFCD03617287
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉FO₃
  • Molecular Weight 232.21
  • Synonym(s) 4-fluoro-3-phenoxy benzoic acid
  • SMILES O=C(O)C1=CC=C(F)C(OC2=CC=CC=C2)=C1

Synthesis

  • Route1

    References

    • Holla, B. Shivarama; Bhat, K. Subrahmanya; Shetty, N. Suchetha Phosphorus, Sulfur and Silicon and the Related Elements, 2003 , vol. 178, # 10 p. 2193 - 2199
  • Route2

    References

    • Nie, Zhe; Perretta, Carin; Lu, Jia; Su, Ying; Margosiak, Stephen; Gajiwala, Ketan S.; Cortez, Joseph; Nikulin, Victor; Yager, Kraig M.; Appelt, Krzysztof; Chu, Shaosong Journal of Medicinal Chemistry, 2005 , vol. 48, # 5 p. 1596 - 1609
  • Route3
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      34241-39-9
    • Pyrithione sodium|CS-0138085
      15922-78-8
    • null|null
      78235-82-2
    • ~%
    • null|null
      112204-59-8
    • 4-Fluoro-3-phenoxybenzoic acid|CS-0523193
      77279-89-1

    References

    • Imperial Chemical Industries PLC Patent: US4788349 A1, 1988 ;

Safety Information

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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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