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CS-W001157 4
Total: USD 88.00

Diethyl fluoromalonate

  • CAS No. 685-88-1

  • Cat. No. CS-W002046
  • Purity≥98%
  • MDL No.MFCD00009139

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

Diethyl fluoromalonate|CS-W002046

Structure of 685-88-1

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General Information

  • CAS No. 685-88-1
  • Cat. No. CS-W002046
  • Purity ≥98%
  • MDL No. MFCD00009139
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁FO₄
  • Molecular Weight 178.16
  • Synonym(s) trifluoromethylsulfonyl 2,2,2-trifluoroacetate
  • SMILES CCOC(=O)C(C(=O)OCC)F

Description

The reaction of diethyl fluoromalonate with electron-poor and electron-rich, sterically hindered and unhindered aryl bromides and chlorides were studied.The kinetic parameters of diethyl fluoromalonate in hemolysates were used to study carboxylesterase activities in complex systems.

Synthesis

  • Route1

    References

    • BAYER CROPSCIENCE AKTIENGESELLSCHAFT Patent: WO2005/19154 A1, 2005 ; Location in patent: Page/Page column 5 ;
  • Route2
    • null|null
      996-82-7
    • ~74%
    • In-stock
      Diethyl fluoromalonate|CS-W002046
      685-88-1
    • In-stock
      Diethyl 2,2-difluoromalonate|CS-0043634
      680-65-9

    References

    • Umemoto, Teruo; Fukami, Shinji; Tomizawa, Ginjiro; Harasawa, Kikuko; Kawada, Kosuke; Tomita, Kyoichi Journal of the American Chemical Society, 1990 , vol. 112, # 23 p. 8563 - 8575
  • Route3
    • null|null
      105-53-3
    • ~78%
    • In-stock
      Diethyl fluoromalonate|CS-W002046
      685-88-1

    References

    • Chambers, Richard D.; Hutchinson, John Journal of Fluorine Chemistry, 1998 , vol. 92, # 1 p. 45 - 52

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H227-H314-H318
Precautionary Statements : P210-P260-P264-P280-P301+P330+P331-P304+P340-P363-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   0.4507
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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