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CS-W001157 4
Total: USD 88.00

3-(3-Fluorophenyl)propanenitrile

  • CAS No. 25468-87-5

  • Cat. No. CS-0269155
  • Purity≥97%
  • MDL No.MFCD08235267

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

3-(3-Fluorophenyl)propanenitrile|CS-0269155

Structure of 25468-87-5

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General Information

  • CAS No. 25468-87-5
  • Cat. No. CS-0269155
  • Purity ≥97%
  • MDL No. MFCD08235267
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈FN
  • Molecular Weight 149.16
  • Synonym(s) 3-fluorophenethyl cyanide
  • SMILES C1=CC(=CC(=C1)F)CCC#N

Synthesis

  • Route1
    • In-stock
      3-Fluorobenzyl alcohol|CS-W021926
      456-47-3
    • null|null
      75-05-8
    • ~75%
    • In-stock
      3-(3-Fluorophenyl)propanenitrile|CS-0269155
      25468-87-5

    References

    • Anxionnat, Bruno; Gomez Pardo, Domingo; Ricci, Gino; Cossy, Janine Organic Letters, 2011 , vol. 13, # 15 p. 4084 - 4087
  • Route2

    References

    • Montgomery; Niwas; Rose; Secrist III; Babu; Bugg; Erion; Guida; Ealick Journal of Medicinal Chemistry, 1993 , vol. 36, # 1 p. 55 - 69
  • Route3
    • null|null
      773837-37-9
    • In-stock
      1-(2-Bromoethyl)-3-fluorobenzene|CS-W015476
      25017-13-4
    • ~85%
    • In-stock
      3-(3-Fluorophenyl)propanenitrile|CS-0269155
      25468-87-5

    References

    • Cinelli, Maris A.; Li, Huiying; Chreifi, Georges; Martasek, Pavel; Roman, Linda J.; Poulos, Thomas L.; Silverman, Richard B. Journal of Medicinal Chemistry, 2014 , vol. 57, # 4 p. 1513 - 1530

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.28188
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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