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CS-W001157 4
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4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one

  • CAS No. 103361-68-8

  • Cat. No. CS-0213474
  • Purity≥98%
  • MDL No.MFCD03012694

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

4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one|CS-0213474

Structure of 103361-68-8

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General Information

  • CAS No. 103361-68-8
  • Cat. No. CS-0213474
  • Purity ≥98%
  • MDL No. MFCD03012694
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₄
  • Molecular Weight 208.17
  • Synonym(s) 6-Nitro-4-methyl-2H-1,4-benzoxazin-3(4H)-one
  • SMILES CN1C2=C(C=CC(=C2)[N+](=O)[O-])OCC1=O

Synthesis

  • Route1

    References

    • Berger, Jacob; Caroon, Joan Marie; Krauss, Nancy Elisabeth; Walker, Keith Adrian Murray; Zhao, Shu-Hai; Lopez-Tapia, Francisco Javier Patent: US2010/160373 A1, 2010 ; Location in patent: Page/Page column 30 ; US 20100160373 A1
  • Route2

    References

    • Allergan, Inc. Patent: US5091528 A1, 1992 ; US 5091528 A

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   72.68
  • LogP   0.95
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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