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CS-W001157 4
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6-Chloro-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

  • CAS No. 116862-22-7

  • Cat. No. CS-0149730
  • Purity≥97%
  • MDL No.MFCD02660643

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

6-Chloro-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0149730

Structure of 116862-22-7

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General Information

  • CAS No. 116862-22-7
  • Cat. No. CS-0149730
  • Purity ≥97%
  • MDL No. MFCD02660643
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClN₂O₄
  • Molecular Weight 228.59
  • Synonym(s) 6-chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one
  • SMILES O=C1COC2=C(N1)C=C(C(=C2)[N+]([O-])=O)Cl

Synthesis

  • Route1

    References

    • Reddy Sastry; Srinivasa Rao; Krishnan; Rastogi; Jain; Kass Narayan Indian Journal of Chemistry - Section B Organic Chemistry Including Medicinal Chemistry, 1989 , vol. 28, # 1 p. 48 - 51
  • Route2
    • 2-Amino-4-chloro-5-nitrophenol|CS-0204252
      6358-07-2
    • null|null
      105-36-2
    • ~%
    • In-stock
      6-Chloro-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0149730
      116862-22-7

    References

    • WO2013/117649 A1, ; Paragraph 00270-00271 ;

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Computational Chemistry Data

  • TPSA   81.47
  • LogP   1.5791
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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