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CS-W001157 4
Total: USD 88.00

1,3-difluoro-5-methoxy-2-nitrobenzene

  • CAS No. 66684-62-6

  • Cat. No. CS-0061943
  • Purity≥98%
  • MDL No.None

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

1,3-difluoro-5-methoxy-2-nitrobenzene|CS-0061943

Structure of 66684-62-6

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General Information

  • CAS No. 66684-62-6
  • Cat. No. CS-0061943
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₂NO₃
  • Molecular Weight 189.12
  • Synonym(s) 4-Nitro-3,5-difluoroanisole
  • SMILES COC1=CC(=C(C(=C1)F)[N+](=O)[O-])F

Synthesis

  • Route1

    References

    • Barnard; Storr; O'Neill; Park Journal of Pharmacy and Pharmacology, 1993 , vol. 45, # 8 p. 736 - 744
  • Route2
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      372-38-3
    • ~%
    • In-stock
      1,3-difluoro-5-methoxy-2-nitrobenzene|CS-0061943
      66684-62-6

    References

    • O'Neill, Paul M.; Harrison, Anthony C.; Storr, Richard C.; Hawley, Shaun R.; Ward, Stephen A.; Park, B. Kevin Journal of Medicinal Chemistry, 1994 , vol. 37, # 9 p. 1362 - 1370
  • Route3

    References

    • Malamas, Michael S.; Ni, Yike; Erdei, James; Stange, Hans; Schindler, Rudolf; Lankau, Hans-Joachim; Grunwald, Christian; Fan, Kristi Yi; Parris, Kevin; Langen, Barbara; Egerland, Ute; Hage, Thorsten; Marquis, Karen L.; Grauer, Steve; Brennan, Julie; Navarra, Rachel; Graf, Radka; Harrison, Boyd L.; Robichaud, Albert; Kronbach, Thomas; Pangalos, Menelas N.; Hoefgen, Norbert; Brandon, Nicholas J. Journal of Medicinal Chemistry, 2011 , vol. 54, # 21 p. 7621 - 7638

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

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   1.8816
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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