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CS-W001157 4
Total: USD 88.00

Diethyl 2-(3-(trifluoromethyl)phenyl)malonate

  • CAS No. 1997-28-0

  • Cat. No. CS-0449230
  • Molecule weight304.26
  • Purity≥98%
  • MDL No.None

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

Diethyl 2-(3-(trifluoromethyl)phenyl)malonate|CS-0449230

Structure of 1997-28-0

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General Information

  • CAS No. 1997-28-0
  • Cat. No. CS-0449230
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅F₃O₄
  • Molecular Weight 304.26
  • Synonym(s) Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate
  • SMILES CCOC(=O)C(C1=CC(=CC=C1)C(F)(F)F)C(=O)OCC

Synthesis

  • Route1

    References

    • Xie, Xiaoan; Cai, Guorong; Ma, Dawei Organic Letters, 2005 , vol. 7, # 21 p. 4693 - 4695
  • Route2

    References

    • Xie, Xiaoan; Cai, Guorong; Ma, Dawei Organic Letters, 2005 , vol. 7, # 21 p. 4693 - 4695
  • Route3

    References

    • Richon, Allen B.; Maragoudakis, Michael E.; Wasvary, James S. Journal of Medicinal Chemistry, 1982 , vol. 25, # 6 p. 745 - 747

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.9152
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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