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CS-W001157 4
Total: USD 88.00

4-Benzoylbenzoic acid

  • CAS No. 611-95-0

  • Cat. No. CS-W022083
  • Molecule weight226.23
  • Purity≥97%
  • MDL No.MFCD00002560

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

4-Benzoylbenzoic acid|CS-W022083

Structure of 611-95-0

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General Information

  • CAS No. 611-95-0
  • Cat. No. CS-W022083
  • Purity ≥97%
  • MDL No. MFCD00002560
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀O₃
  • Molecular Weight 226.23
  • Synonym(s) Benzoylbenzoicacid
  • SMILES O=C(O)C1=CC=C(C(C2=CC=CC=C2)=O)C=C1

Synthesis

  • Route1
    • null|null
      1063965-82-1
    • null|null
      124-38-9
    • ~99%
    • In-stock
      4-Benzoylbenzoic acid|CS-W022083
      611-95-0

    References

    • Angewandte Chemie - International Edition, , vol. 47, # 31 p. 5792 - 5795
  • Route2
    • null|null
      134-84-9
    • ~77%
    • In-stock
      4-Benzoylbenzoic acid|CS-W022083
      611-95-0

    References

    • Journal of the American Chemical Society, , vol. 106, # 23 p. 7167 - 7175
  • Route3
    • null|null
      124-38-9
    • In-stock
      (4-Bromophenyl)(phenyl)methanone|CS-W007824
      90-90-4
    • ~40%
    • In-stock
      4-Benzoylbenzoic acid|CS-W022083
      611-95-0

    References

    • Journal of the American Chemical Society, , vol. 131, # 44 p. 15974 - 15975

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.6158
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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