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CS-W001157 4
Total: USD 88.00

2-(tert-Butyl)-5-nitro-1H-indole

  • CAS No. 174274-85-2

  • Cat. No. CS-0147720
  • Molecule weight218.25
  • Purity≥95%
  • MDL No.MFCD05224888

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

2-(tert-Butyl)-5-nitro-1H-indole|CS-0147720

Structure of 174274-85-2

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General Information

  • CAS No. 174274-85-2
  • Cat. No. CS-0147720
  • Purity ≥95%
  • MDL No. MFCD05224888
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂O₂
  • Molecular Weight 218.25
  • Synonym(s) 2-tert-butyl-5-nitro-1H-indole
  • SMILES O=[N+](C1=CC2=C(NC(C(C)(C)C)=C2)C=C1)[O-]

Synthesis

  • Route1
    • 2-(3,3-Dimethylbut-1-yn-1-yl)-4-nitroaniline|CS-0595765
      682357-48-8
    • ~85%
    • 2-(tert-Butyl)-5-nitro-1H-indole|CS-0147720
      174274-85-2

    References

    • WO2004/35571 A1, ; Page 25 ;
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 39, # 4 p. 892 - 903
  • Route3
    • null|null
      917-92-0
    • ~%
    • 2-(tert-Butyl)-5-nitro-1H-indole|CS-0147720
      174274-85-2

    References

    • Journal of Medicinal Chemistry, , vol. 39, # 4 p. 892 - 903

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   58.93
  • LogP   3.3736
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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