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CS-W001157 4
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3-Methoxy-5-nitrobenzotrifluoride

  • CAS No. 328-79-0

  • Cat. No. CS-W014742
  • Molecule weight221.13
  • Purity≥98%
  • MDL No.MFCD00010446

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

3-Methoxy-5-nitrobenzotrifluoride|CS-W014742

Structure of 328-79-0

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General Information

  • CAS No. 328-79-0
  • Cat. No. CS-W014742
  • Purity ≥98%
  • MDL No. MFCD00010446
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₃
  • Molecular Weight 221.13
  • Synonym(s) 5-methoxy-3-nitrobenzotrifluoride
  • SMILES FC(F)(F)C1=CC([N+]([O-])=O)=CC(OC)=C1

Synthesis

  • Route1
    • null|null
      401-99-0
    • null|null
      124-41-4
    • ~%
    • In-stock
      3-Methoxy-5-nitrobenzotrifluoride|CS-W014742
      328-79-0

    References

    • Journal of the Chemical Society, , p. 2013,2016 Journal of the American Chemical Society, , vol. 77, p. 2284,2285
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 74, p. 3011,3012
  • Route3
    • null|null
      67-56-1
    • null|null
      401-99-0
    • ~%
    • In-stock
      3-Methoxy-5-nitrobenzotrifluoride|CS-W014742
      328-79-0

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 34, # 7 p. 2250 - 2254,2262 - 2265

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-P304+P340-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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