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CS-W001157 4
Total: USD 88.00

3,5-Difluoro-4-methoxybenzonitrile

  • CAS No. 104197-15-1

  • Cat. No. CS-0102653
  • Purity≥97%
  • MDL No.MFCD04115912

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

3,5-Difluoro-4-methoxybenzonitrile|CS-0102653

Structure of 104197-15-1

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General Information

  • CAS No. 104197-15-1
  • Cat. No. CS-0102653
  • Purity ≥97%
  • MDL No. MFCD04115912
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₂NO
  • Molecular Weight 169.13
  • Synonym(s) Benzonitrile, 3,5-difluoro-4-methoxy-
  • SMILES N#CC1=CC(F)=C(OC)C(F)=C1

Synthesis

  • Route1
    • null|null
      544-92-3
    • In-stock
      5-Bromo-1,3-difluoro-2-methoxybenzene|CS-W013104
      104197-14-0
    • ~%
    • In-stock
      3,5-Difluoro-4-methoxybenzonitrile|CS-0102653
      104197-15-1

    References

    • ASTRAZENECA AB Patent: WO2006/135316 A1, 2006 ; Location in patent: Page/Page column 55 ; WO 2006/135316 A1
  • Route2
    • null|null
      67-56-1
    • In-stock
      3,4,5-Trifluorobenzonitrile|CS-W019259
      134227-45-5
    • ~%
    • In-stock
      3,5-Difluoro-4-methoxybenzonitrile|CS-0102653
      104197-15-1

    References

    • Khanna, Ish K.; Weier, Richard M.; Yu, Yi; Xu, Xiang D.; Koszyk, Francis J.; Collins, Paul W.; Koboldt, Carol M.; Veenhuizen, Amy W.; Perkins, William E.; Casier, Jacquelen J.; Masferrer, Jaime L.; Zhang, Yan Y.; Gregory, Susan A.; Seibert, Karen; Isakson, Peter C. Journal of Medicinal Chemistry, 1997 , vol. 40, # 11 p. 1634 - 1647
  • Route3

    References

    • Chambers, Richard D.; Hutchinson, John; Sparrowhawk, Matthew E.; Sandford, Graham; Moilliet, John S.; Thomson, Julie Journal of Fluorine Chemistry, 2000 , vol. 102, # 1-2 p. 169 - 173

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-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   33.02
  • LogP   1.84508
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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