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CS-W001157 4
Total: USD 88.00

7-Nitroisoindolin-1-one

  • CAS No. 169044-97-7

  • Cat. No. CS-0043569
  • Purity≥97%
  • MDL No.MFCD09376378

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

7-Nitroisoindolin-1-one|CS-0043569

Structure of 169044-97-7

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General Information

  • CAS No. 169044-97-7
  • Cat. No. CS-0043569
  • Purity ≥97%
  • MDL No. MFCD09376378
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₃
  • Molecular Weight 178.14
  • Synonym(s) 1H-Isoindol-1-one,2,3-dihydro-7-nitro
  • SMILES O=C1NCC2=C1C([N+]([O-])=O)=CC=C2

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: WO2006/21544 A1, 2006 ; Location in patent: Page/Page column 26 ; WO 2006/021544 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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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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