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CS-W001157 4
Total: USD 88.00

2,6-Di-tert-butyl-4-nitrophenol

  • CAS No. 728-40-5

  • Cat. No. CS-0154932
  • Purity≥98%
  • MDL No.None

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

2,6-Di-tert-butyl-4-nitrophenol|CS-0154932

Structure of 728-40-5

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General Information

  • CAS No. 728-40-5
  • Cat. No. CS-0154932
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₁NO₃
  • Molecular Weight 251.32
  • Synonym(s) ENT-25569
  • SMILES CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])C(C)(C)C)O

Synthesis

  • Route1
    • null|null
      128-39-2
    • ~89%
    • In-stock
      2,6-Di-tert-butyl-4-nitrophenol|CS-0154932
      728-40-5

    References

    • Ji, Li; Qian, Chao; Liu, Mei-Xin; Chen, Xin-Zhi Journal of Chemical Research, 2011 , vol. 35, # 2 p. 101 - 103
  • Route2
    • null|null
      128-39-2
    • ~59%
    • In-stock
      3,3',5,5'-Tetra-tert-butyl-[1,1'-bi(cyclohexylidene)]-2,2',5,5'-tetraene-4,4'-dione|CS-0088244
      2455-14-3
    • In-stock
      2,6-Di-tert-butyl-4-nitrophenol|CS-0154932
      728-40-5

    References

    • Vol'eva, V. B.; Komissarova, N. L.; Belostotskaya, I. S.; Grishina, E. A.; Ershov, V. V. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1991 , vol. 40, # 10 p. 2088 - 2090 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1991 , # 10 p. 2381 - 2383
  • Route3
    • 1,3-Di-tert-butyl-2-methoxybenzene|CS-0447214
      1516-95-6
    • ~94%
    • In-stock
      2,6-Di-tert-butyl-4-nitrophenol|CS-0154932
      728-40-5

    References

    • Vol'eva, V. B.; Komissarova, N. L.; Belostotskaya, I. S.; Grishina, E. A.; Ershov, V. V. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1991 , vol. 40, # 10 p. 2088 - 2090 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1991 , # 10 p. 2381 - 2383

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319
Precautionary Statements : P264-P270-P280-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   3.8954
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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