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CS-W001157 4
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1-(4-Acetylphenyl)-2,2,2-trifluoroethan-1-one

  • CAS No. 86988-49-0

  • Cat. No. CS-0457522
  • Purity≥98%
  • MDL No.None

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

1-(4-Acetylphenyl)-2,2,2-trifluoroethan-1-one|CS-0457522

Structure of 86988-49-0

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General Information

  • CAS No. 86988-49-0
  • Cat. No. CS-0457522
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇F₃O₂
  • Molecular Weight 216.16
  • Synonym(s) 1-(4-Acetylphenyl)-2,2,2-trifluoroethanone
  • SMILES CC(C1=CC=C(C(C(F)(F)F)=O)C=C1)=O

Synthesis

  • Route1
    • 2-(4-Bromophenyl)-2-methyl-1,3-dioxolane|CS-0193348
      4360-68-3
    • null|null
      383-63-1
    • ~64%
    • 1-(4-Acetylphenyl)-2,2,2-trifluoroethan-1-one|CS-0457522
      86988-49-0

    References

    • Sasaki, Shigeru; Yamauchi, Takayasu; Kubo, Hajime; Kanai, Masatomi; Ishii, Akihiro; Higashiyama, Kimio Tetrahedron Letters, 2005 , vol. 46, # 9 p. 1497 - 1500
  • Route2

    References

    • Chen, Loomis S.; Chen, Grace J.; Tamborski, Christ Journal of Organometallic Chemistry, 1983 , vol. 251, # 2 p. 139 - 148

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-H312-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   34.14
  • LogP   2.6342
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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