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1-(4-Ethylphenyl)-4,4,4-trifluorobutane-1,3-dione

  • CAS No. 1495-03-0

  • Cat. No. CS-0238271
  • Purity≥97%
  • MDL No.None

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

1-(4-Ethylphenyl)-4,4,4-trifluorobutane-1,3-dione|CS-0238271

Structure of 1495-03-0

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General Information

  • CAS No. 1495-03-0
  • Cat. No. CS-0238271
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁F₃O₂
  • Molecular Weight 244.21
  • Synonym(s) 1-(4-Ethylphenyl)-4,4,4-trifluoro-1,3-butanedione
  • SMILES CCC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F

Synthesis

  • Route1

    References

    • J.B. Chemicals and Pharmaceuticals Limited Patent: US2001/47023 A1, 2001 ;
  • Route2

    References

    • Singh, Sunil K.; Reddy, P. Ganapati; Rao, K. Srinivasa; Lohray, Braj B.; Misra; Rajjak, Shaikh A.; Rao, Yeleswarapu K.; Venkateswarlu Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 2 p. 499 - 504

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.9532
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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