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CS-W001157 4
Total: USD 88.00

1-Methyl-3-(2,2,2-trifluoroethyl)benzene

  • CAS No. 50562-00-0

  • Cat. No. CS-0580848
  • Molecule weight174.16
  • Purity≥98%
  • MDL No.None

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

1-Methyl-3-(2,2,2-trifluoroethyl)benzene|CS-0580848

Structure of 50562-00-0

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General Information

  • CAS No. 50562-00-0
  • Cat. No. CS-0580848
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉F₃
  • Molecular Weight 174.16
  • Synonym(s) 3-(2,2,2-Trifluoroethyl)toluene
  • SMILES CC1=CC(=CC=C1)CC(F)(F)F

Synthesis

  • Route1
    • null|null
      84774-73-2
    • ~80%
    • 1-Methyl-3-(2,2,2-trifluoroethyl)benzene|CS-0580848
      50562-00-0

    References

    • Lee, Chuan-Chen; Lin, Shaw-Tao Journal of Chemical Research - Part S, 2000 , # 3 p. 142 - 144
  • Route2
    • 2,2,2-Trifluoro-1-(m-tolyl)ethan-1-ol|CS-0448385
      1737-23-1
    • ~%
    • 1-Methyl-3-(2,2,2-trifluoroethyl)benzene|CS-0580848
      50562-00-0

    References

    • DePuy,C.H.; Schultz,A.L. Journal of Organic Chemistry, 1974 , vol. 39, # 7 p. 878 - 881
  • Route3

    References

    • Duan, Jian-Xing; Chen, Quing-Yun Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994 , # 6 p. 725 - 730

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.09982
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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