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CS-W001157 4
Total: USD 88.00

2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one

  • CAS No. 52776-13-3

  • Cat. No. CS-0265269
  • Purity≥97%
  • MDL No.None

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

2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one|CS-0265269

Structure of 52776-13-3

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General Information

  • CAS No. 52776-13-3
  • Cat. No. CS-0265269
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃F₃O
  • Molecular Weight 242.24
  • Synonym(s) 2-(4-(trifluoromethyl)phenyl)cyclohexanone
  • SMILES O=C1C(C2=CC=C(C(F)(F)F)C=C2)CCCC1

Synthesis

  • Route1
    • null|null
      838826-65-6
    • ~73%
    • 2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one|CS-0265269
      52776-13-3

    References

    • Han, Xiaoqing; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A. Chemistry - A European Journal, 2004 , vol. 10, # 24 p. 6333 - 6342
  • Route2

    References

    • Han, Xiaoqing; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A. Chemistry - A European Journal, 2004 , vol. 10, # 24 p. 6333 - 6342
  • Route3
    • null|null
      16885-20-4
    • ~%
    • 2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one|CS-0265269
      52776-13-3

    References

    • Han, Xiaoqing; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A. Chemistry - A European Journal, 2004 , vol. 10, # 24 p. 6333 - 6342

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   3.9321
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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