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CS-W001157 4
Total: USD 88.00

4-(2,2,2-Trifluoroethoxy)aniline

  • CAS No. 57946-61-9

  • Cat. No. CS-0206385
  • Purity≥98%
  • MDL No.MFCD00077606

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

4-(2,2,2-Trifluoroethoxy)aniline|CS-0206385

Structure of 57946-61-9

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General Information

  • CAS No. 57946-61-9
  • Cat. No. CS-0206385
  • Purity ≥98%
  • MDL No. MFCD00077606
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈F₃NO
  • Molecular Weight 191.15
  • Synonym(s) 4-Amino-beta,beta,beta-trifluorophenetole
  • SMILES C1=C(C=CC(=C1)OCC(F)(F)F)N

Synthesis

  • Route1

    References

    • Barta, Thomas E.; Becker, Daniel P.; Bedell, Louis J.; Boehm, Terri L.; Brown, David L.; Carroll, Jeffery N.; Chen, Yiyuan; Fobian, Yvette M.; Freskos, John N.; Gasiecki, Alan F.; Grapperhaus, Margaret L.; Heintz, Robert M.; Hockerman, Susan L.; Kassab, Darren J.; Khanna, Ish K.; Kolodziej, Stephen A.; Massa, Mark A.; McDonald, Joseph J.; Mischke, Brent V.; Mischke, Deborah A.; Mullins, Patrick B.; Nagy, Mark A.; Norton, Monica B.; Rico, Joseph G.; Schmidt, Michelle A.; Stehle, Nathan W.; Talley, John J.; Vernier, William F.; Villamil, Clara I.; Wang, Lijuan J.; Wynn, Thomas A. Patent: US2005/9838 A1, 2005 ; Location in patent: Page 113 ; US 20050009838 A1
  • Route2
    • null|null
      100-02-7
    • null|null
      353-83-3
    • ~%
    • 4-(2,2,2-Trifluoroethoxy)aniline|CS-0206385
      57946-61-9

    References

    • US2002/169159 A1, ; US 20020169159 A1
  • Route3

    References

    • US4968829 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317
Precautionary Statements : P261-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   2.2099
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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