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CS-W001157 4
Total: USD 88.00

4-(Benzyloxy)-2-fluorobenzoic acid

  • CAS No. 114045-96-4

  • Cat. No. CS-W014635
  • Molecule weight246.24
  • Purity≥95%
  • MDL No.MFCD12407082

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

4-(Benzyloxy)-2-fluorobenzoic acid|CS-W014635

Structure of 114045-96-4

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General Information

  • CAS No. 114045-96-4
  • Cat. No. CS-W014635
  • Purity ≥95%
  • MDL No. MFCD12407082
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁FO₃
  • Molecular Weight 246.24
  • Synonym(s) 4-Benzyloxy-2-fluorobenzoic ac
  • SMILES O=C(O)C1=CC=C(OCC2=CC=CC=C2)C=C1F

Synthesis

  • Route1
    • null|null
      898563-93-4
    • ~%
    • 4-(Benzyloxy)-2-fluorobenzoic acid|CS-W014635
      114045-96-4

    References

    • MERCK and CO., INC. Patent: WO2008/156721 A1, 2008 ; Location in patent: Page/Page column 60 ;
  • Route2
    • 4-(Benzyloxy)-2-fluorobenzonitrile|CS-0156190
      185836-35-5
    • ~76%
    • 4-(Benzyloxy)-2-fluorobenzoic acid|CS-W014635
      114045-96-4

    References

    • Jolidon, Synese; Rodriguez Sarmiento, Rosa Maria; Thomas, Andrew William; Wyler, Rene Patent: US2003/236304 A1, 2003 ;
  • Route3

    References

    • Chisso Corporation Patent: US4784791 A1, 1988 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   3.1029
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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