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CS-W001157 4
Total: USD 88.00

3-(2,6-Difluorophenyl)-3-oxopropanenitrile

  • CAS No. 40017-76-3

  • Cat. No. CS-0314818
  • Purity≥95%
  • MDL No.None

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

3-(2,6-Difluorophenyl)-3-oxopropanenitrile|CS-0314818

Structure of 40017-76-3

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General Information

  • CAS No. 40017-76-3
  • Cat. No. CS-0314818
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₂NO
  • Molecular Weight 181.14
  • Synonym(s) 1-(2,6-Difluorophenyl)but-3-yn-1-one
  • SMILES C1=CC(=C(C(=C1)F)C(=O)CC#N)F

Synthesis

  • Route1

    References

    • Binder; Hromatka; Noe; Hillebrand; Veit; Blum Archiv der Pharmazie, 1980 , vol. 313, # 7 p. 587 - 602
  • Route2

    References

    • Binder; Hromatka; Noe; Hillebrand; Veit; Blum Archiv der Pharmazie, 1980 , vol. 313, # 7 p. 587 - 602
  • Route3

    References

    • Binder; Hromatka; Noe; Hillebrand; Veit; Blum Archiv der Pharmazie, 1980 , vol. 313, # 7 p. 587 - 602

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-H332-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   40.86
  • LogP   2.06118
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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