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CS-W001157 4
Total: USD 88.00

2,2-Dimethyl-7-nitro-4H-1,4-benzoxazin-3-one

  • CAS No. 85160-83-4

  • Cat. No. CS-0061087
  • Purity≥98%
  • MDL No.None

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

2,2-Dimethyl-7-nitro-4H-1,4-benzoxazin-3-one|CS-0061087

Structure of 85160-83-4

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General Information

  • CAS No. 85160-83-4
  • Cat. No. CS-0061087
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₄
  • Molecular Weight 222.20
  • Synonym(s) 2,2-Dimethyl-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
  • SMILES CC1(C(NC2=C(O1)C=C([N+]([O-])=O)C=C2)=O)C

Synthesis

  • Route1
    • null|null
      600-00-0
    • ~%
    • In-stock
      2,2-Dimethyl-7-nitro-4H-1,4-benzoxazin-3-one|CS-0061087
      85160-83-4

    References

    • TANABE SEIYAKU CO., LTD. Patent: WO2007/89034 A1, 2007 ; Location in patent: Page/Page column 73 ; WO 2007/089034 A1
  • Route2
    • null|null
      600-00-0
    • null|null
      121-88-0
    • ~62%
    • In-stock
      2,2-Dimethyl-7-nitro-4H-1,4-benzoxazin-3-one|CS-0061087
      85160-83-4

    References

    • Shridhar; Gandhi Rao Synthesis, 1982 , vol. No. 11, p. 986 - 987
  • Route3
    • null|null
      114254-56-7
    • ~%
    • In-stock
      2,2-Dimethyl-7-nitro-4H-1,4-benzoxazin-3-one|CS-0061087
      85160-83-4

    References

    • Norris Journal of the American Chemical Society, 1959 , vol. 81, p. 4239,4242

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

Quality Control

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Computational Chemistry Data

  • TPSA   81.47
  • LogP   1.7043
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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