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CS-W001157 4
Total: USD 88.00

3-(3-(Trifluoromethyl)phenyl)propanenitrile

  • CAS No. 95096-06-3

  • Cat. No. CS-0156939
  • Molecule weight199.17
  • Purity≥97%
  • MDL No.MFCD04973009

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

3-(3-(Trifluoromethyl)phenyl)propanenitrile|CS-0156939

Structure of 95096-06-3

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General Information

  • CAS No. 95096-06-3
  • Cat. No. CS-0156939
  • Purity ≥97%
  • MDL No. MFCD04973009
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈F₃N
  • Molecular Weight 199.17
  • Synonym(s) 3-Trifluoromethyl-benzenepropanenitrile
  • SMILES C1=CC(=CC(=C1)C(F)(F)F)CCC#N

Synthesis

  • Route1

    References

    • Amatore, Muriel; Gosmini, Corinne; Perichon, Jacques Journal of Organic Chemistry, 2006 , vol. 71, # 16 p. 6130 - 6134
  • Route2
    • null|null
      1015065-53-8
    • ~88%
    • 3-(3-(Trifluoromethyl)phenyl)propanenitrile|CS-0156939
      95096-06-3

    References

    • IND-SWIFT LABORATORIES LIMITED Patent: WO2008/35381 A2, 2008 ; Location in patent: Page/Page column 25 ;
  • Route3
    • null|null
      705-29-3
    • null|null
      590-17-0
    • ~56%
    • 3-(3-(Trifluoromethyl)phenyl)propanenitrile|CS-0156939
      95096-06-3

    References

    • Inaba, Shin-ichi; Rieke, Reuben D. Synthesis, 1984 , # 10 p. 842 - 844

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319
Precautionary Statements : P264-P270-P280-P330-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.16158
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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