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CS-W001157 4
Total: USD 88.00

1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde

  • CAS No. 333333-34-9

  • Cat. No. CS-0323509
  • Purity95+%
  • MDL No.None

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

1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde|CS-0323509

Structure of 333333-34-9

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General Information

  • CAS No. 333333-34-9
  • Cat. No. CS-0323509
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₃
  • Molecular Weight 162.14
  • Synonym(s) 1,3-dihydro-1-oxo-5-Isobenzofurancarboxaldehyde
  • SMILES C1=CC2=C(C=C1C=O)COC2=O

Synthesis

  • Route1
    • 5-(Hydroxymethyl)isobenzofuran-1(3H)-one|CS-0865864
      65006-89-5
    • ~67%
    • 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde|CS-0323509
      333333-34-9

    References

    • Sankyo Company, Limited Patent: EP1362856 A1, 2003 ; Location in patent: Page/Page column 113 ;
  • Route2
    • null|null
      227954-90-7
    • ~63%
    • 1-Oxo-1,3-dihydroisobenzofuran-5-carbaldehyde|CS-0323509
      333333-34-9

    References

    • INFOSINT SA Patent: EP1281708 A1, 2003 ;
  • Route3

    References

    • Spicer, Julie A.; Huttunen, Kristiina M.; Miller, Christian K.; Denny, William A.; Ciccone, Annette; Browne, Kylie A.; Trapani, Joseph A. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 3 p. 1319 - 1336

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.1695
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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