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CS-W001157 4
Total: USD 88.00

6-Nitrobenzo[d]oxazol-2(3H)-one

  • CAS No. 4694-91-1

  • Cat. No. CS-0112393
  • Purity≥96%
  • MDL No.MFCD00463755

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

6-Nitrobenzo[d]oxazol-2(3H)-one|CS-0112393

Structure of 4694-91-1

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General Information

  • CAS No. 4694-91-1
  • Cat. No. CS-0112393
  • Purity ≥96%
  • MDL No. MFCD00463755
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₂O₄
  • Molecular Weight 180.12
  • Synonym(s) 6-nitrobenzoxazol-2(3H)-one
  • SMILES O=C1OC2=CC([N+]([O-])=O)=CC=C2N1

Synthesis

  • Route1
    • null|null
      530-62-1
    • null|null
      121-88-0
    • ~99%
    • In-stock
      6-Nitrobenzo[d]oxazol-2(3H)-one|CS-0112393
      4694-91-1

    References

    • SHIONOGI and CO., LTD. Patent: EP1988077 A1, 2008 ; Location in patent: Page/Page column 68 ;
  • Route2

    References

    • Guenadil, Faouzi; Aichaoui, Hocine; Kapanda, Coco N.; Lambert, Didier M.; McCurdy, Christopher R.; Poupaert, Jacques H. Monatshefte fur Chemie, 2011 , vol. 142, # 1 p. 67 - 80
  • Route3
    • null|null
      88522-68-3
    • ~76%
    • In-stock
      6-Nitrobenzo[d]oxazol-2(3H)-one|CS-0112393
      4694-91-1

    References

    • Nachman Journal of Heterocyclic Chemistry, 1983 , vol. 20, # 5 p. 1423 - 1425

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+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   89.14
  • LogP   1.0293
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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