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CS-W001157 4
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1-(Adamantan-1-yl)-4,4,4-trifluorobutane-1,3-dione

  • CAS No. 758709-48-7

  • Cat. No. CS-0271222
  • Molecule weight274.28
  • Purity≥97%
  • MDL No.None

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

1-(Adamantan-1-yl)-4,4,4-trifluorobutane-1,3-dione|CS-0271222

Structure of 758709-48-7

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General Information

  • CAS No. 758709-48-7
  • Cat. No. CS-0271222
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇F₃O₂
  • Molecular Weight 274.28
  • Synonym(s) 1-Adamantan-1-yl-4,4,4-trifluoro-butane-1,3-dione
  • SMILES C1C2CC3CC1CC(C2)(C3)C(=O)CC(=O)C(F)(F)F

Synthesis

  • Route1

    References

    • Riofski, Mark V.; John, Jinu P.; Zheng, Mary M.; Kirshner, Julia; Colby, David A. Journal of Organic Chemistry, 2011 , vol. 76, # 10 p. 3676 - 3683
  • Route2

    References

    • Khamylov; Pochekutova; Petrov; Sizov; Fukin; Kurskii; Arapova Russian Journal of General Chemistry, 2009 , vol. 79, # 1 p. 31 - 36

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-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   3.2934
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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