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CS-W001157 4
Total: USD 88.00

Phenyl benzoate

  • CAS No. 93-99-2

  • Cat. No. CS-W010539
  • Purity≥97%
  • MDL No.MFCD00003072

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

Phenyl benzoate|CS-W010539

Structure of 93-99-2

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General Information

  • CAS No. 93-99-2
  • Cat. No. CS-W010539
  • Purity ≥97%
  • MDL No. MFCD00003072
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀O₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=C(OC1=CC=CC=C1)C2=CC=CC=C2

Description

Phenyl benzoate is a phenyl ester of benzoic acid. Crystal structure of phenyl benzoate has been determined from 844 microdensitometer-measured intensities. All bond lengths and angles were reported to be normal. Phenyl benzoate undergoes Fries rearrangement catalyzed by heteropoly acids to yield the acylated phenols and esters.Phenyl benzoate serves as a precursor that undergoes the intramolecular biaryl coupling reaction to produce the intermediate for the synthesis of ()-steganone.Phenyl benzoate was used in the synthesis of soluble polyimides using dianhydride/diamine derivatives.

Synthesis

  • Route1
    • 4-Hydroxyphenyl benzoate|CS-0000205
      2444-19-1
    • ~%
    • In-stock
      Phenyl benzoate|CS-W010539
      93-99-2

    References

    • Tetrahedron, , vol. 38, # 24 p. 3775 - 3781
  • Route2
    • null|null
      50400-41-4
    • In-stock
      2-(4-Chlorophenyl)-1-phenylethanone|CS-0060490
      6332-83-8
    • ~0%
    • In-stock
      Phenyl benzoate|CS-W010539
      93-99-2
    • null|null
      101554-06-7

    References

    • Li, Guangzhe; Arisawa, Mieko; Yamaguchi, Masahiko Chemical Communications, 2014 , vol. 50, # 33 p. 4328 - 4330
  • Route3
    • In-stock
      2-Phenylacetophenone|CS-0019389
      451-40-1
    • null|null
      50400-41-4
    • ~75%
    • In-stock
      Phenyl benzoate|CS-W010539
      93-99-2
    • null|null
      2008-07-3

    References

    • Chemical Communications, , vol. 50, # 33 p. 4328 - 4330

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.9058
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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