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CS-W001157 4
Total: USD 88.00

1-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile

  • CAS No. 82104-74-3

  • Cat. No. CS-W016184
  • Purity≥95%
  • MDL No.MFCD01072882

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

1-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile|CS-W016184

Structure of 82104-74-3

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General Information

  • CAS No. 82104-74-3
  • Cat. No. CS-W016184
  • Purity ≥95%
  • MDL No. MFCD01072882
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅NO₂
  • Molecular Weight 159.14
  • Synonym(s) 5-Phthalidenitrile
  • SMILES N#CC1=CC2=C(C(OC2)=O)C=C1

Synthesis

  • Route1
    • null|null
      452978-39-1
    • ~%
    • In-stock
      1-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile|CS-W016184
      82104-74-3

    References

    • EP1362856 A1, ; Page/Page column 113 ;
  • Route2

    References

    • US2002/198391 A1, ;
  • Route3

    References

    • SUVEN LIFE SCIENCES LTD, Patent: WO2005/111010 A1, 2005 ; Location in patent: Page/Page column 7-8 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.22868
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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