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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 453560-74-2

  • Cat. No. CS-0102046
  • Purity≥97%
  • MDL No.MFCD04112485

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

2-Methoxy-4-nitro-1-(trifluoromethyl)benzene|CS-0102046

Structure of 453560-74-2

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General Information

  • CAS No. 453560-74-2
  • Cat. No. CS-0102046
  • Purity ≥97%
  • MDL No. MFCD04112485
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₃
  • Molecular Weight 221.13
  • Synonym(s) 5-nitro-2-(trifluoromethy)anisole
  • SMILES FC(C1=CC=C([N+]([O-])=O)C=C1OC)(F)F

Synthesis

  • Route1
    • null|null
      2314-97-8
    • In-stock
      1-Iodo-2-methoxy-4-nitrobenzene|CS-W014018
      5458-84-4
    • ~43%
    • In-stock
      2-Methoxy-4-nitro-1-(trifluoromethyl)benzene|CS-0102046
      453560-74-2

    References

    • Potashman, Michele H.; Bready, James; Coxon, Angela; Demelfi Jr., Thomas M.; DiPietro, Lucian; Doerr, Nicholas; Elbaum, Daniel; Estrada, Juan; Gallant, Paul; Germain, Julie; Gu, Yan; Harmange, Jean-Christophe; Kaufman, Stephen A.; Kendall, Rick; Kim, Joseph L.; Kumar, Gondi N.; Long, Alexander M.; Neervannan, Seshadri; Patel, Vinod F.; Polverino, Anthony; Rose, Paul; Van Der Plas, Simon; Whittington, Douglas; Zanon, Roger; Zhao, Huilin Journal of Medicinal Chemistry, 2007 , vol. 50, # 18 p. 4351 - 4373
  • Route2

    References

    • Talamas, Francisco X.; Abbot, Sarah C.; Anand, Shalini; Brameld, Ken A.; Carter, David S.; Chen, Jun; Davis, Dana; De Vicente, Javier; Fung, Amy D.; Gong, Leyi; Harris, Seth F.; Inbar, Petra; Labadie, Sharada S.; Lee, Eun K.; Lemoine, Remy; Le Pogam, Sophie; Leveque, Vincent; Li, Jim; McIntosh, Joel; Najera, Isabel; Park, Jaehyeon; Railkar, Aruna; Rajyaguru, Sonal; Sangi, Michael; Schoenfeld, Ryan C.; Staben, Leanna R.; Tan, Yunchou; Taygerly, Joshua P.; Villasenor, Armando G.; Weller, Paul E. Journal of Medicinal Chemistry, 2014 , vol. 57, # 5 p. 1914 - 1931
  • Route3
    • null|null
      1514-87-0
    • In-stock
      1-Iodo-2-methoxy-4-nitrobenzene|CS-W014018
      5458-84-4
    • ~51%
    • In-stock
      2-Methoxy-4-nitro-1-(trifluoromethyl)benzene|CS-0102046
      453560-74-2

    References

    • Brotherton-Pleiss, Christine E.; Caroon, Joan Marie; Lopez-Tapia, Francisco Javier Patent: US2010/160388 A1, 2010 ; Location in patent: Page/Page column 64-65 ; US 20100160388 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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-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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