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CS-W001157 4
Total: USD 88.00

4-tert-Butyl-3-nitroaniline

  • CAS No. 31951-12-9

  • Cat. No. CS-0060874
  • Purity≥97%
  • MDL No.None

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

4-tert-Butyl-3-nitroaniline|CS-0060874

Structure of 31951-12-9

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General Information

  • CAS No. 31951-12-9
  • Cat. No. CS-0060874
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄N₂O₂
  • Molecular Weight 194.23
  • Synonym(s) 3-nitro-4-tert-butylaniline
  • SMILES CC(C)(C)C1=C(C=C(C=C1)N)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      4160-54-7
    • ~87%
    • In-stock
      4-tert-Butyl-3-nitroaniline|CS-0060874
      31951-12-9

    References

    • Atwal, Karnail S.; Ferrara, Francis N.; Ding, Charles Z.; Grover, Gary J.; Sleph, Paul G.; Dzwonczyk, Steven; Baird, Anne J.; Normandin, Diane E. Journal of Medicinal Chemistry, 1996 , vol. 39, # 1 p. 304 - 313
  • Route2

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;
  • Route3
    • null|null
      253185-03-4
    • ~%
    • In-stock
      4-tert-Butyl-3-nitroaniline|CS-0060874
      31951-12-9

    References

    • Murphy, J. Timothy; Ridd, John H. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1987 , p. 1767 - 1772

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   69.16
  • LogP   2.4745
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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