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CS-W001157 4
Total: USD 88.00

4-Nitro-2(3H)-benzoxazolone

  • CAS No. 28955-71-7

  • Cat. No. CS-0040523
  • Purity≥97%
  • MDL No.MFCD00460557

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

4-Nitro-2(3H)-benzoxazolone|CS-0040523

Structure of 28955-71-7

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General Information

  • CAS No. 28955-71-7
  • Cat. No. CS-0040523
  • Purity ≥97%
  • MDL No. MFCD00460557
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₂O₄
  • Molecular Weight 180.12
  • Synonym(s) 4-Nitro-1,3-benzoxazol-2(3H)-one
  • SMILES O=C1OC2=CC=CC([N+]([O-])=O)=C2N1

Synthesis

  • Route1
    • 3-Nitrobenzene-1,2-diol|CS-W006455
      6665-98-1
    • null|null
      530-62-1
    • ~64%
    • In-stock
      4-Nitro-2(3H)-benzoxazolone|CS-0040523
      28955-71-7

    References

    • Pharmeste S.r.l. Patent: EP2377850 A1, 2011 ; Location in patent: Page/Page column 20 ;
  • Route2
    • In-stock
      2-Amino-3-hydroxynitrobenzene|CS-W008642
      603-85-0
    • null|null
      530-62-1
    • ~64%
    • In-stock
      4-Nitro-2(3H)-benzoxazolone|CS-0040523
      28955-71-7

    References

    • PHARMESTE S.R.L.; NAPOLETANO, Mauro; TREVISANI, Marcello; PAVANI, Maria Giovanna; FRUTTAROLO, Francesca Patent: WO2011/120604 A1, 2011 ; Location in patent: Page/Page column 56; 131 ; WO 2011/120604 A1
  • Route3

    References

    • Maleski, Robert J.; Osborne, C. Edward; Cline, Sharon M. Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 8 p. 1937 - 1939

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

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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