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CS-W001157 4
Total: USD 88.00

2-(2,4-dimethylbenZoyl)benzoic acid

  • CAS No. 2346-63-6

  • Cat. No. CS-0240891
  • Purity95+%
  • MDL No.None

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

2-(2,4-dimethylbenZoyl)benzoic acid|CS-0240891

Structure of 2346-63-6

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General Information

  • CAS No. 2346-63-6
  • Cat. No. CS-0240891
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₄O₃
  • Molecular Weight 254.28
  • Synonym(s) 2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carboxylic acid
  • SMILES CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)C

Synthesis

  • Route1
    • null|null
      85-44-9
    • null|null
      108-38-3
    • ~99%
    • 2-(2,4-dimethylbenZoyl)benzoic acid|CS-0240891
      2346-63-6

    References

    • GLAXOSMITHKLINE LLC; DE LA ROSA, Martha Alicia; HAYDAR, Simon, N.; JOHNS, Brian Alvin; VELTHUISEN, Emile Johann Patent: WO2012/102985 A1, 2012 ; Location in patent: Page/Page column 183-184 ;
  • Route2

    References

    • Miao, Jinmin; Ge, Haibo Organic Letters, 2013 , vol. 15, # 12 p. 2930 - 2933
  • Route3
    • null|null
      4397-55-1
    • null|null
      108-38-3
    • ~%
    • 2-(2,4-dimethylbenZoyl)benzoic acid|CS-0240891
      2346-63-6

    References

    • Smith Journal of the American Chemical Society, 1921 , vol. 43, p. 1920

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H319-H410
Precautionary Statements : P264-P270-P273-P280-P305+P351+P338-P330-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   3.23264
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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