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CS-W001157 4
Total: USD 88.00

6-Nitroisoindolin-1-one

  • CAS No. 110568-64-4

  • Cat. No. CS-W005623
  • Purity≥98%
  • MDL No.None

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

6-Nitroisoindolin-1-one|CS-W005623

Structure of 110568-64-4

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General Information

  • CAS No. 110568-64-4
  • Cat. No. CS-W005623
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₃
  • Molecular Weight 178.14
  • Synonym(s) 6-Nitroisoindoline-1-one
  • SMILES O=C1NCC2=C1C=C([N+]([O-])=O)C=C2

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2008/79836 A2, 2008 ; Location in patent: Page/Page column 86-87 ; WO 2008/079836 A2
  • Route2

    References

    • WO2010/10184 A1, ; Page/Page column 59 ; WO 2010/010184 A1
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 2 p. 814 - 819

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

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Computational Chemistry Data

  • TPSA   72.24
  • LogP   0.8382
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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