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CS-W001157 4
Total: USD 88.00

6-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

  • CAS No. 81721-87-1

  • Cat. No. CS-0136884
  • Purity≥98%
  • MDL No.MFCD03425744

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

6-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0136884

Structure of 81721-87-1

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General Information

  • CAS No. 81721-87-1
  • Cat. No. CS-0136884
  • Purity ≥98%
  • MDL No. MFCD03425744
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₄
  • Molecular Weight 194.14
  • Synonym(s) 6-Nitro-2H-1,4-benzoxazin-3(4H)-one
  • SMILES O=C1COC2=CC=C([N+]([O-])=O)C=C2N1

Synthesis

  • Route1
    • null|null
      79-04-9
    • null|null
      99-57-0
    • ~99%
    • In-stock
      6-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0136884
      81721-87-1

    References

    • Schering Corporation and Pharmacopeia Drug Discovery, Inc. Patent: US2007/93477 A1, 2007 ; Location in patent: Page/Page column 20 ;
  • Route2
    • null|null
      598-21-0
    • null|null
      99-57-0
    • ~89%
    • In-stock
      6-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0136884
      81721-87-1

    References

    • Kelly, Michael G.; Kincaid, John; Janagani, Satyanarayana; Duncton, Matthew Patent: US2006/205773 A1, 2006 ; Location in patent: Page/Page column 25 ;
  • Route3
    • null|null
      105-36-2
    • null|null
      99-57-0
    • ~75%
    • In-stock
      6-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0136884
      81721-87-1

    References

    • Sharifi, Ali; Barazandeh, Mehdi; Saeed Abaee; Mirzaei, Mojtaba Tetrahedron Letters, 2010 , vol. 51, # 14 p. 1852 - 1855

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   81.47
  • LogP   0.9257
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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