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CS-W001157 4
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5,6-Dihydroxyisobenzofuran-1(3H)-one

  • CAS No. 53766-43-1

  • Cat. No. CS-0527413
  • Purity≥98%
  • MDL No.None

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

5,6-Dihydroxyisobenzofuran-1(3H)-one|CS-0527413

Structure of 53766-43-1

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General Information

  • CAS No. 53766-43-1
  • Cat. No. CS-0527413
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆O₄
  • Molecular Weight 166.13
  • Synonym(s) 1(3H)-Isobenzofuranone,5,6-dihydroxy-(9CI)
  • SMILES O=C1OCC2=C1C=C(O)C(O)=C2

Synthesis

  • Route1

    References

    • GLAXO GROUP LIMITED; SHIONOGI and CO., LTD.; LIAO, Xiangmin; PEARSON, Neil, David; PENDRAK, Israil; THALGI, Reema; YAMAWAKI, Kenji; YOKOO, Katsuki; SATO, Jun; KUSANO, Hiroki; AOKI, Toshiaki Patent: WO2014/68388 A1, 2014 ; Location in patent: Paragraph 0225 ;

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   0.7682
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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