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CS-W001157 4
Total: USD 88.00

3-(4-Fluorophenyl)cyclohexan-1-one

  • CAS No. 78494-26-5

  • Cat. No. CS-0232243
  • Purity95+%
  • MDL No.None

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

3-(4-Fluorophenyl)cyclohexan-1-one|CS-0232243

Structure of 78494-26-5

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General Information

  • CAS No. 78494-26-5
  • Cat. No. CS-0232243
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃FO
  • Molecular Weight 192.23
  • Synonym(s) 3-(4-Fluorophenyl)cyclohexanone
  • SMILES C1CC(CC(=O)C1)C2=CC=C(C=C2)F

Synthesis

  • Route1

    References

    • Brown University Patent: US2007/117981 A1, 2007 ; Location in patent: Page/Page column 9; 10; 13 ;
  • Route2
    • null|null
      930-68-7
    • null|null
      352-13-6
    • ~85%
    • 3-(4-Fluorophenyl)cyclohexan-1-one|CS-0232243
      78494-26-5

    References

    • Miura, Tomoya; Murakami, Masahiro Chemical Communications, 2005 , # 45 p. 5676 - 5677
  • Route3
    • (2-((4-Fluorophenyl)dimethylsilyl)phenyl)methanol|CS-0456378
      853955-70-1
    • null|null
      930-68-7
    • ~91%
    • 3-(4-Fluorophenyl)cyclohexan-1-one|CS-0232243
      78494-26-5

    References

    • Nakao, Yoshiaki; Chen, Jinshui; Imanaka, Hidekazu; Hiyama, Tamejiro; Ichikawa, Yoshitaka; Duan, Wei-Liang; Shintani, Ryo; Hayashi, Tamio Journal of the American Chemical Society, 2007 , vol. 129, # 29 p. 9137 - 9143

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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.0524
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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