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CS-W001157 4
Total: USD 88.00

4-(4-tert-Butylphenyl)aniline

  • CAS No. 5728-71-2

  • Cat. No. CS-0209900
  • Molecule weight225.33
  • Purity≥95%
  • MDL No.MFCD06802637

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

4-(4-tert-Butylphenyl)aniline|CS-0209900

Structure of 5728-71-2

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General Information

  • CAS No. 5728-71-2
  • Cat. No. CS-0209900
  • Purity ≥95%
  • MDL No. MFCD06802637
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₉N
  • Molecular Weight 225.33
  • Synonym(s) 4TERTBUTYL4AMINOBIPHENYL
  • SMILES CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)N

Synthesis

  • Route1
    • 4-(tert-Butyl)-4'-nitro-1,1'-biphenyl|CS-0661642
      279242-11-4
    • ~84%
    • 4-(4-tert-Butylphenyl)aniline|CS-0209900
      5728-71-2

    References

    • Glende, Carsten; Klein, Markus; Schmitt, Heimo; Erdinger, Lothar; Boche, Gernot Mutation Research - Genetic Toxicology and Environmental Mutagenesis, 2002 , vol. 515, # 1-2 p. 15 - 38
  • Route2

    References

    • Parrish, Cynthia A.; Adams, Nicholas D.; Auger, Kurt R.; Burgess, Joelle L.; Carson, Jeffrey D.; Chaudhari, Amita M.; Copeland, Robert A.; Diamond, Melody A.; Donatelli, Carla A.; Duffy, Kevin J.; Faucette, Leo F.; Finer, Jeffrey T.; Huffman, William F.; Hugger, Erin D.; Jackson, Jeffrey R.; Knight, Steven D.; Luo, Lusong; Moore, Michael L.; Newlander, Ken A.; Ridgers, Lance H.; Sakowicz, Roman; Shaw, Antony N.; Sung, Chiu-Mei M.; Sutton, David; Wood, Kenneth W.; Zhang, Shu-Yun; Zimmerman, Michael N.; Dhanak, Dashyant Journal of Medicinal Chemistry, 2007 , vol. 50, # 20 p. 4939 - 4952
  • Route3

    References

    • WO2010/19828 A1, ; Page/Page column 45 ; WO 2010/019828 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H226-H314
Precautionary Statements : P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P304+P340-P363-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   4.2333
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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