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CS-W001157 4
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3-(Trifluoromethyl)cyclohexan-1-ol, mixture of diastereomers

  • CAS No. 454-63-7

  • Cat. No. CS-0252991
  • Molecule weight168.16
  • Purity95+%
  • MDL No.None

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

3-(Trifluoromethyl)cyclohexan-1-ol, mixture of diastereomers|CS-0252991

Structure of 454-63-7

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General Information

  • CAS No. 454-63-7
  • Cat. No. CS-0252991
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁F₃O
  • Molecular Weight 168.16
  • Synonym(s) 3-(Trifluoromethyl)Cyclohexanol,Cis/Trans
  • SMILES C1CC(CC(C1)O)C(F)(F)F

Synthesis

  • Route1

    References

    • Raghavan, Subharekha; Colletti, Steven L.; Ding, Fa-Xiang; Shen, Hong; Tata, James R.; Lins, Ashley Rouse; Smenton, Abigail Lee; Chen, Weichun; Schmidt, Darby Rye; Tria, George Scott Patent: US2006/293364 A1, 2006 ; Location in patent: Page/Page column 31; 51 ; US 20060293364 A1
  • Route2
    • null|null
      32654-38-9
    • ~70%
    • 3-(Trifluoromethyl)cyclohexan-1-ol, mixture of diastereomers|CS-0252991
      454-63-7

    References

    • Zalesskaya, I. M.; Blakitnyi, A. N.; Saenko, E. P.; Fialkov, Yu. A.; Yagupol'skii, L. M. Journal of Organic Chemistry USSR (English Translation), 1980 , vol. 16, p. 1031 - 1038 Zhurnal Organicheskoi Khimii, 1980 , vol. 16, # 6 p. 1194 - 1202
  • Route3

    References

    • Swarts Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1923 , vol. <5> 9, p. 346 Chem. Zentralbl., 1924 , vol. 95, # I p. 419

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319
Precautionary Statements : P210-P264-P280-P302+P352-P362+P364-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.0998
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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