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CS-W001157 4
Total: USD 88.00

5-(4-Fluorophenyl)-5-oxopentanenitrile

  • CAS No. 898767-06-1

  • Cat. No. CS-0588194
  • Molecule weight191.20
  • Purity≥98%
  • MDL No.None

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

5-(4-Fluorophenyl)-5-oxopentanenitrile|CS-0588194

Structure of 898767-06-1

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General Information

  • CAS No. 898767-06-1
  • Cat. No. CS-0588194
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀FNO
  • Molecular Weight 191.20
  • Synonym(s) 5-(4-Fluorophenyl)-5-oxovaleronitrile
  • SMILES N#CCCCC(C1=CC=C(F)C=C1)=O

Synthesis

  • Route1
    • null|null
      1402927-10-9
    • ~72%
    • 5-(4-Fluorophenyl)-5-oxopentanenitrile|CS-0588194
      898767-06-1

    References

    • Streuff, Jan; Feurer, Markus; Bichovski, Plamen; Frey, Georg; Gellrich, Urs Angewandte Chemie - International Edition, 2012 , vol. 51, # 34 p. 8661 - 8664
  • Route2

    References

    • Angewandte Chemie - International Edition, , vol. 51, # 34 p. 8661 - 8664
  • Route3

    References

    • Angewandte Chemie - International Edition, , vol. 51, # 34 p. 8661 - 8664

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.70228
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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