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CS-W001157 4
Total: USD 88.00

4-(Phenoxymethyl)benzoic acid

  • CAS No. 31719-76-3

  • Cat. No. CS-0068068
  • Purity≥95%
  • MDL No.MFCD00623268

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

4-(Phenoxymethyl)benzoic acid|CS-0068068

Structure of 31719-76-3

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General Information

  • CAS No. 31719-76-3
  • Cat. No. CS-0068068
  • Purity ≥95%
  • MDL No. MFCD00623268
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂O₃
  • Molecular Weight 228.25
  • Synonym(s) 4-(PHENOXYMETHYL)BENZENECARBOXYLIC ACID
  • SMILES O=C(O)C1=CC=C(COC2=CC=CC=C2)C=C1

Synthesis

  • Route1
    • Methyl 4-(phenoxymethyl)benzoate|CS-0751151
      124397-37-1
    • ~81%
    • In-stock
      4-(Phenoxymethyl)benzoic acid|CS-0068068
      31719-76-3

    References

    • CONSTELLATION PHARMACEUTICALS; ALBRECHT, Brian, K.; AUDIA, James, Edmund; COOK, Andrew; GAGNON, Alexandre; HARMANGE, Jean-christophe; NAVESCHUK, Christopher, G. Patent: WO2013/75083 A1, 2013 ; Location in patent: Paragraph 00206; 00208 ;
  • Route2
    • In-stock
      4-(Chloromethyl)benzoic acid|CS-W017672
      1642-81-5
    • null|null
      108-95-2
    • ~%
    • In-stock
      4-(Phenoxymethyl)benzoic acid|CS-0068068
      31719-76-3

    References

    • US2001/56100 A1, ; US 20010056100 A1
  • Route3

    References

    • Kraus, George A.; Riley, Sean; Cordes, Travis Green Chemistry, 2011 , vol. 13, # 10 p. 2734 - 2736

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   2.9638
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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