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CS-W001157 4
Total: USD 88.00

2-(4-Methylbenzoyl)benzoic acid

  • CAS No. 85-55-2

  • Cat. No. CS-0070864
  • Purity≥97%
  • MDL No.MFCD00020287

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

2-(4-Methylbenzoyl)benzoic acid|CS-0070864

Structure of 85-55-2

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General Information

  • CAS No. 85-55-2
  • Cat. No. CS-0070864
  • Purity ≥97%
  • MDL No. MFCD00020287
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₂O₃
  • Molecular Weight 240.25
  • Synonym(s) p-Toluoyl-o-benzoic Acid
  • SMILES O=C(C1=CC=C(C)C=C1)C2=CC=CC=C2C(O)=O

Synthesis

  • Route1
    • null|null
      85-44-9
    • null|null
      108-88-3
    • ~10%
    • 2-(4-Methylbenzoyl)benzoic acid|CS-0070864
      85-55-2

    References

    • Castle, Raymond N.; Kudo, Hirotaka; Lee, Milton L. Collection of Czechoslovak Chemical Communications, 1991 , vol. 56, # 11.1 p. 2269 - 2277
  • Route2

    References

    • Miao, Jinmin; Ge, Haibo Organic Letters, 2013 , vol. 15, # 12 p. 2930 - 2933
  • Route3
    • null|null
      85-44-9
    • ~%
    • 2-(4-Methylbenzoyl)benzoic acid|CS-0070864
      85-55-2

    References

    • US3952037 A1, ;

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   54.37
  • LogP   2.92422
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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