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2,2-Dimethyl-5-nitro-1,3-dioxaindane

  • CAS No. 54186-68-4

  • Cat. No. CS-0233984
  • Molecule weight195.17
  • Purity95+%
  • MDL No.None

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

2,2-Dimethyl-5-nitro-1,3-dioxaindane|CS-0233984

Structure of 54186-68-4

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General Information

  • CAS No. 54186-68-4
  • Cat. No. CS-0233984
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 2,2-Dimethyl-5-nitro-1,3-benzodioxole
  • SMILES CC1(C)OC2=C(C=C(C=C2)[N+](=O)[O-])O1

Synthesis

  • Route1

    References

    • SHELL INTERNATIONALE RESEARCH, MAATSCHAPPIJ B.V. Patent: EP525877 A1, 1993 ;
  • Route2

    References

    • Cole, Edward R.; Crank, George; Minh, H. T. Hai Australian Journal of Chemistry, 1980 , vol. 33, # 3 p. 675 - 680
  • Route3
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      120-80-9
    • ~%
    • 2,2-Dimethyl-5-nitro-1,3-dioxaindane|CS-0233984
      54186-68-4

    References

    • Cole, Edward R.; Crank, George; Minh, H. T. Hai Australian Journal of Chemistry, 1980 , vol. 33, # 3 p. 675 - 680

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   61.6
  • LogP   2.1021
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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