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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 3094-08-4

  • Cat. No. CS-0450853
  • Purity≥98%
  • MDL No.None

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

1-Ethoxy-4-nitro-2-(trifluoromethyl)benzene|CS-0450853

Structure of 3094-08-4

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General Information

  • CAS No. 3094-08-4
  • Cat. No. CS-0450853
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₃NO₃
  • Molecular Weight 235.16
  • Synonym(s) 5-Nitro-2-ethoxy-benzotrifluorid
  • SMILES CCOC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

Synthesis

  • Route1

    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
  • Route2

    References

    • Frazier,T.C. et al. Journal of Organic Chemistry, 1961 , vol. 26, p. 2223 - 2225

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   3.0123
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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