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CS-W001157 4
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4-Benzyloxy-3-fluorobenzoic acid

  • CAS No. 152552-64-2

  • Cat. No. CS-0195222
  • Molecule weight246.23
  • Purity≥97%
  • MDL No.None

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

4-Benzyloxy-3-fluorobenzoic acid|CS-0195222

Structure of 152552-64-2

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General Information

  • CAS No. 152552-64-2
  • Cat. No. CS-0195222
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁FO₃
  • Molecular Weight 246.23
  • Synonym(s) 4-(benzyloxy)-3-fluorobenzoic acid
  • SMILES C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)F

Synthesis

  • Route1
    • null|null
      1379604-20-2
    • ~89%
    • 4-Benzyloxy-3-fluorobenzoic acid|CS-0195222
      152552-64-2

    References

    • PFIZER INC.; MASCITTI, Vincent; MCCLURE, Kim Francis; MUNCHHOF, Michael John; ROBINSON, Ralph Pelton, Jr. Patent: WO2012/69948 A1, 2012 ; Location in patent: Page/Page column 71-72 ;
  • Route2

    References

    • Booth, Christopher J.; Dunmur, David A.; Goodby, John W.; Toyne, Kenneth J.; Watson, Marcus J. Journal of Materials Chemistry, 1996 , vol. 6, # 6 p. 919 - 926
  • Route3

    References

    • Hird, Michael; Goodby, John W.; Toyne, Kenneth J.; Gleeson, Helen F.; Peter Buxton; Seed, Alexander J.; Herbert, Mark R. Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals, 2001 , vol. 365, p. 213 - 220

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   3.1029
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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