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CS-W001157 4
Total: USD 88.00

tert-Butyl 3,5-dinitrobenzoate

  • CAS No. 5342-97-2

  • Cat. No. CS-0365841
  • Molecule weight268.22
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 3,5-dinitrobenzoate|CS-0365841

Structure of 5342-97-2

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General Information

  • CAS No. 5342-97-2
  • Cat. No. CS-0365841
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂O₆
  • Molecular Weight 268.22
  • Synonym(s) None
  • SMILES CC(C)(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      99-34-3
    • null|null
      75-65-0
    • ~94%
    • In-stock
      tert-Butyl 3,5-dinitrobenzoate|CS-0365841
      5342-97-2

    References

    • Takimoto, Seiji; Inanaga, Junji; Katsuki, Tsutomu; Yamaguchi, Masaru Bulletin of the Chemical Society of Japan, 1981 , vol. 54, # 5 p. 1470 - 1473
  • Route2
    • null|null
      6226-55-7
    • null|null
      75-65-0
    • ~88%
    • In-stock
      tert-Butyl 3,5-dinitrobenzoate|CS-0365841
      5342-97-2

    References

    • Takimoto, Seiji; Inanaga, Junji; Katsuki, Tsutomu; Yamaguchi, Masaru Bulletin of the Chemical Society of Japan, 1981 , vol. 54, # 5 p. 1470 - 1473
  • Route3
    • null|null
      99-34-3
    • null|null
      115-11-7
    • ~%
    • In-stock
      tert-Butyl 3,5-dinitrobenzoate|CS-0365841
      5342-97-2

    References

    • Altschul Journal of the American Chemical Society, 1948 , vol. 70, p. 2569,2571

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   112.58
  • LogP   2.4583
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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