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CS-W001157 4
Total: USD 88.00

1-Methoxy-4-nitro-2-(trifluoromethyl)benzene

  • CAS No. 654-76-2

  • Cat. No. CS-W014743
  • Purity≥98%
  • MDL No.MFCD00007328

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

1-Methoxy-4-nitro-2-(trifluoromethyl)benzene|CS-W014743

Structure of 654-76-2

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General Information

  • CAS No. 654-76-2
  • Cat. No. CS-W014743
  • Purity ≥98%
  • MDL No. MFCD00007328
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₃
  • Molecular Weight 221.14
  • Synonym(s) 2-Methoxy-5-nitrobenzotrifluoride
  • SMILES FC(F)(F)C1=CC([N+]([O-])=O)=CC=C1OC

Synthesis

  • Route1

    References

    • US4225731 A1, ;
  • Route2

    References

    • WO2005/80340 A1, ; Page/Page column 50 ;
  • Route3
    • In-stock
      2-Chloro-5-nitrobenzotrifluoride|CS-W010436
      777-37-7
    • null|null
      124-41-4
    • ~90%
    • In-stock
      1-Methoxy-4-nitro-2-(trifluoromethyl)benzene|CS-W014743
      654-76-2

    References

    • Bromidge, Steven M.; Dabbs, Steven; Davies, David T.; Duckworth, D. Malcolm; Forbes, Ian T.; Ham, Peter; Jones, Graham E.; King, Frank D.; Saunders, Damian V.; Starr, Susannah; Thewlis, Kevin M.; Wyman, Paul A.; Blaney, Frank E.; Naylor, Christopher B.; Bailey, Fiona; Blackburn, Thomas P.; Holland, Vicky; Kennett, Guy A.; Riley, Graham J.; Wood, Martyn D. Journal of Medicinal Chemistry, 1998 , vol. 41, # 10 p. 1598 - 1612

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   2.6222
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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