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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)cyclohexanone

  • CAS No. 75091-99-5

  • Cat. No. CS-0044814
  • Molecule weight166.14
  • Purity≥98%
  • MDL No.MFCD00102145

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

4-(Trifluoromethyl)cyclohexanone|CS-0044814

Structure of 75091-99-5

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General Information

  • CAS No. 75091-99-5
  • Cat. No. CS-0044814
  • Purity ≥98%
  • MDL No. MFCD00102145
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉F₃O
  • Molecular Weight 166.14
  • Synonym(s) 4-(TRIFLUOROMETHYL)CYCLOHEXAN-1-ONE
  • SMILES O=C1CCC(C(F)(F)F)CC1

Synthesis

  • Route1
    • (1S,4s)-4-(trifluoromethyl)cyclohexan-1-ol|CS-0466346
      75091-92-8
    • ~94%
    • In-stock
      4-(Trifluoromethyl)cyclohexanone|CS-0044814
      75091-99-5

    References

    • WO2008/7930 A1, ; Page/Page column 27-28 ; WO 2008/007930 A9
  • Route2
    • null|null
      343217-50-5
    • ~%
    • In-stock
      4-(Trifluoromethyl)cyclohexanone|CS-0044814
      75091-99-5

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 16, p. 1031 - 1038 Zhurnal Organicheskoi Khimii, , vol. 16, # 6 p. 1194 - 1202
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 76, # 19 p. 7706 - 7719

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.308
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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