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CS-W001157 4
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Methyl 2,2-difluorohexanoate

  • CAS No. 50889-47-9

  • Cat. No. CS-0069502
  • Purity≥98%
  • MDL No.MFCD11113321

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

Methyl 2,2-difluorohexanoate|CS-0069502

Structure of 50889-47-9

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General Information

  • CAS No. 50889-47-9
  • Cat. No. CS-0069502
  • Purity ≥98%
  • MDL No. MFCD11113321
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂F₂O₂
  • Molecular Weight 166.17
  • Synonym(s) Hexanoic acid, 2,2-difluoro-, Methyl ester
  • SMILES CCCCC(F)(F)C(OC)=O

Synthesis

  • Route1
    • Methyl 2-oxohexanoate|CS-0669071
      6395-83-1
    • ~64%
    • Methyl 2,2-difluorohexanoate|CS-0069502
      50889-47-9

    References

    • Avila, David V.; Ingold; Lusztyk; Dolbier Jr.; Pan Journal of Organic Chemistry, 1996 , vol. 61, # 6 p. 2027 - 2030

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.9849
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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