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CS-W001157 4
Total: USD 88.00

1,3,5-Tri-tert-butyl-2-nitrobenzene

  • CAS No. 4074-25-3

  • Cat. No. CS-0154924
  • Molecule weight291.43
  • Purity≥97%
  • MDL No.MFCD00008818

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

1,3,5-Tri-tert-butyl-2-nitrobenzene|CS-0154924

Structure of 4074-25-3

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General Information

  • CAS No. 4074-25-3
  • Cat. No. CS-0154924
  • Purity ≥97%
  • MDL No. MFCD00008818
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₉NO₂
  • Molecular Weight 291.43
  • Synonym(s) 2,4,6-Tri-tert-butylnitrobenzene
  • SMILES CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[N+](=O)[O-])C(C)(C)C

Synthesis

  • Route1

    References

    • Okada, Tadashi; Karaki, Ichiro; Mataga, Noboru Journal of the American Chemical Society, 1982 , vol. 104, # 25 p. 7191 - 7195
  • Route2
    • In-stock
      2,4,6-Tri-tert-butylaniline|CS-W021499
      961-38-6
    • ~30%
    • In-stock
      1,3,5-Tri-tert-butyl-2-nitrobenzene|CS-0154924
      4074-25-3
    • null|null
      15197-88-3
    • null|null
      143726-74-3

    References

    • Nishinaga; Forster; Eichhorn; Speiser; Rieker Tetrahedron Letters, 1992 , vol. 33, # 31 p. 4425 - 4428
  • Route3

    References

    • Foerster, Stefan; Rieker, Anton; Maruyama, Kazushige; Murata, Kunihiko; Nishinaga, Akira Journal of Organic Chemistry, 1996 , vol. 61, # 10 p. 3320 - 3326

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   43.14
  • LogP   5.4873
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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