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CS-W001157 4
Total: USD 88.00

2-Hydroxy-2-[4-(trifluoromethyl)phenyl]acetonitrile

  • CAS No. 168013-75-0

  • Cat. No. CS-0161351
  • Purity≥95%
  • MDL No.MFCD12169340

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

2-Hydroxy-2-[4-(trifluoromethyl)phenyl]acetonitrile|CS-0161351

Structure of 168013-75-0

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General Information

  • CAS No. 168013-75-0
  • Cat. No. CS-0161351
  • Purity ≥95%
  • MDL No. MFCD12169340
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO
  • Molecular Weight 201.15
  • Synonym(s) (+/-)-2-hydroxy-2-(4-trifluoromethylphenyl)acetonitrile
  • SMILES N#CC(O)C1=CC=C(C(F)(F)F)C=C1

Synthesis

  • Route1
    • In-stock
      1-Formyl-4-trifluoromethylbenzene|CS-W008968
      455-19-6
    • null|null
      7677-24-9
    • ~93%
    • In-stock
      2-Hydroxy-2-[4-(trifluoromethyl)phenyl]acetonitrile|CS-0161351
      168013-75-0

    References

    • Radosevich, Alexander T.; Musich, Christine; Toste, F. Dean Journal of the American Chemical Society, 2005 , vol. 127, # 4 p. 1090 - 1091
  • Route2
    • In-stock
      1-Formyl-4-trifluoromethylbenzene|CS-W008968
      455-19-6
    • null|null
      74-90-8
    • ~65%
    • In-stock
      2-Hydroxy-2-[4-(trifluoromethyl)phenyl]acetonitrile|CS-0161351
      168013-75-0

    References

    • Han, Shiqing; Chen, Peiran; Lin, Guoqiang; Huang, Hao; Li, Zuyi Tetrahedron Asymmetry, 2001 , vol. 12, # 6 p. 843 - 846
  • Route3

    References

    • Yanagisawa, Akira; Matsumoto, Takuya; Kushihara, Naoyuki; Yoshida, Kazuhiro Advanced Synthesis and Catalysis, 2010 , vol. 352, # 17 p. 2918 - 2922

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   2.26238
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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