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1,3-Dioxo-2-phenyl-2,3-dihydro-1H-isoindole-5-carboxylic acid

  • CAS No. 4649-27-8

  • Cat. No. CS-0072193
  • Purity≥97%
  • MDL No.MFCD00427538

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

1,3-Dioxo-2-phenyl-2,3-dihydro-1H-isoindole-5-carboxylic acid|CS-0072193

Structure of 4649-27-8

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General Information

  • CAS No. 4649-27-8
  • Cat. No. CS-0072193
  • Purity ≥97%
  • MDL No. MFCD00427538
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₉NO₄
  • Molecular Weight 267.24
  • Synonym(s) 1,3-Dioxo-2-phenylisoindoline-5-carboxylic acid
  • SMILES O=C(C1=CC(C(O)=O)=CC=C21)N(C3=CC=CC=C3)C2=O

Synthesis

  • Route1

    References

    • Nikpour, Farzad; Mogaddam, Baran Mohammadi Heterocycles, 2008 , vol. 75, # 9 p. 2289 - 2292
  • Route2

    References

    • Kuo, Gee-Hong; Prouty, Catherine; Murray, William V.; Pulito, Virginia; Jolliffe, Linda; Cheung, Peter; Varga, Sally; Evangelisto, Mary; Wang, Jian Journal of Medicinal Chemistry, 2000 , vol. 43, # 11 p. 2183 - 2195

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

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Computational Chemistry Data

  • TPSA   74.68
  • LogP   2.1854
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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