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CS-W001157 4
Total: USD 88.00

3-Bromoisobenzofuran-1(3H)-one

  • CAS No. 6940-49-4

  • Cat. No. CS-0044779
  • Purity≥98%
  • MDL No.MFCD00040520

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

3-Bromoisobenzofuran-1(3H)-one|CS-0044779

Structure of 6940-49-4

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General Information

  • CAS No. 6940-49-4
  • Cat. No. CS-0044779
  • Purity ≥98%
  • MDL No. MFCD00040520
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrO₂
  • Molecular Weight 213.03
  • Synonym(s) 3-Bromophthalide
  • SMILES O=C1OC(Br)C2=C1C=CC=C2

Synthesis

  • Route1

    References

    • American Home Products Corporation Patent: US4960902 A1, 1990 ;
  • Route2

    References

    • Schering Corporation Patent: US5506236 A1, 1996 ;
  • Route3
    • o-Toluic acid Tolvaptan  Impurity|CS-0229343
      118-90-1
    • ~%
    • 3-Bromoisobenzofuran-1(3H)-one|CS-0044779
      6940-49-4

    References

    • US4211710 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 : H302-H315-H319-H335
Precautionary Statements : P261-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.2505
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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