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CS-W001157 4
Total: USD 88.00

5-nitroisoindoline

  • CAS No. 46053-72-9

  • Cat. No. CS-0006447
  • Purity≥98%
  • MDL No.MFCD08234855

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

5-nitroisoindoline|CS-0006447

Structure of 46053-72-9

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General Information

  • CAS No. 46053-72-9
  • Cat. No. CS-0006447
  • Purity ≥98%
  • MDL No. MFCD08234855
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₂
  • Molecular Weight 164.16
  • Synonym(s) 5-nitro-isoindoline
  • SMILES [O-][N+](C1=CC2=C(C=C1)CNC2)=O

Synthesis

  • Route1

    References

    • INTERMUNE, INC. Patent: US2010/119479 A1, 2010 ; US 20100119479 A1
  • Route2
    • null|null
      1059172-96-1
    • ~%
    • In-stock
      5-nitroisoindoline|CS-0006447
      46053-72-9

    References

    • CEPHALON, INC.; CURRY, Matthew A.; DORSEY, Bruce D.; DUGAN, Benjamin J.; GINGRICH, Diane E.; MESAROS, Eugen F.; MILKIEWICZ, Karen L. Patent: WO2010/141796 A2, 2010 ; Location in patent: Page/Page column 247; 248 ;
  • Route3
    • 2-Benzyl-5-nitroisoindoline|CS-0444020
      127168-68-7
    • ~80%
    • In-stock
      5-nitroisoindoline|CS-0006447
      46053-72-9

    References

    • Meng, Ge; He, Yan-Ping; Chen, Fen-Er Synthetic Communications, 2003 , vol. 33, # 15 p. 2593 - 2598

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.17
  • LogP   1.198
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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