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CS-W001157 4
Total: USD 88.00

5-Nitro-1H-benzo[d][1,3]oxazine-2,4-dione

  • CAS No. 20829-97-4

  • Cat. No. CS-0029680
  • Molecule weight208.13
  • Purity≥97%
  • MDL No.MFCD00016919

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

5-Nitro-1H-benzo[d][1,3]oxazine-2,4-dione|CS-0029680

Structure of 20829-97-4

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General Information

  • CAS No. 20829-97-4
  • Cat. No. CS-0029680
  • Purity ≥97%
  • MDL No. MFCD00016919
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄N₂O₅
  • Molecular Weight 208.13
  • Synonym(s) 5-NITROISATOIC ANHYDRIDE, TECH.
  • SMILES O=C(O1)NC2=CC=CC([N+]([O-])=O)=C2C1=O

Synthesis

  • Route1
    • null|null
      32315-10-9
    • In-stock
      2-Amino-6-nitrobenzoic acid|CS-W002163
      50573-74-5
    • ~99%
    • In-stock
      5-Nitro-1H-benzo[d][1,3]oxazine-2,4-dione|CS-0029680
      20829-97-4

    References

    • GE HEALTHCARE LIMITED; WOODCRAFT, John; JONES, Clare; GAETA, Alessandra; TRIGG, William; JONES, Paul; PLANT, Stuart; JACKSON, Alexander Patent: WO2011/42529 A1, 2011 ; Location in patent: Page/Page column 27-28 ;
  • Route2
    • null|null
      675575-44-7
    • ~%
    • In-stock
      5-Nitro-1H-benzo[d][1,3]oxazine-2,4-dione|CS-0029680
      20829-97-4

    References

    • Joensson, Stig; Andersson, Gunnar; Fex, Tomas; Fristedt, Tomas; Hedlund, Gunnar; Jansson, Karl; Abramo, Lisbeth; Fritzson, Ingela; Pekarski, Olga; Runstroem, Anna; Sandin, Helena; Thuvesson, Ingela; Bjoerk, Anders Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 2075 - 2088
  • Route3

    References

    • Joensson, Stig; Andersson, Gunnar; Fex, Tomas; Fristedt, Tomas; Hedlund, Gunnar; Jansson, Karl; Abramo, Lisbeth; Fritzson, Ingela; Pekarski, Olga; Runstroem, Anna; Sandin, Helena; Thuvesson, Ingela; Bjoerk, Anders Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 2075 - 2088

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   106.21
  • LogP   0.3895
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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