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CS-W001157 4
Total: USD 88.00

3-Fluorobenzoylacetonitrile

  • CAS No. 21667-61-8

  • Cat. No. CS-0206091
  • Molecule weight163.15
  • Purity≥97%
  • MDL No.MFCD02260777

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

3-Fluorobenzoylacetonitrile|CS-0206091

Structure of 21667-61-8

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General Information

  • CAS No. 21667-61-8
  • Cat. No. CS-0206091
  • Purity ≥97%
  • MDL No. MFCD02260777
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆FNO
  • Molecular Weight 163.15
  • Synonym(s) 3-(3-Fluorophenyl)-3-oxopropanenitrile
  • SMILES C1=CC(=CC(=C1)F)C(=O)CC#N

Synthesis

  • Route1
    • In-stock
      Methyl 3-fluorobenzoate|CS-W019585
      455-68-5
    • null|null
      75-05-8
    • ~72%
    • In-stock
      3-Fluorobenzoylacetonitrile|CS-0206091
      21667-61-8

    References

    • SIENA BIOTECH S.P.A.; WYETH PHARMACEUTICALS Patent: WO2007/98826 A2, 2007 ; Location in patent: Page/Page column 46-47 ; WO 2007/098826 A2
  • Route2
    • In-stock
      Ethyl 3-fluorobenzoate|CS-W020154
      451-02-5
    • null|null
      75-05-8
    • ~%
    • In-stock
      3-Fluorobenzoylacetonitrile|CS-0206091
      21667-61-8

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 20, # 3 p. 922 - 926
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 5 p. 1291 - 1295

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-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.92208
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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