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Ethyl 2-(2-fluorophenyl)-2-oxoacetate

  • CAS No. 1813-93-0

  • Cat. No. CS-0151906
  • Purity≥95%
  • MDL No.MFCD09801420

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

Ethyl 2-(2-fluorophenyl)-2-oxoacetate|CS-0151906

Structure of 1813-93-0

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General Information

  • CAS No. 1813-93-0
  • Cat. No. CS-0151906
  • Purity ≥95%
  • MDL No. MFCD09801420
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉FO₃
  • Molecular Weight 196.18
  • Synonym(s) ETHYL 2-FLUOROBENZOYLFORMATE
  • SMILES CCOC(=O)C(=O)C1=CC=CC=C1F

Synthesis

  • Route1
    • In-stock
      1-Bromo-2-fluorobenzene|CS-B1543
      1072-85-1
    • null|null
      95-92-1
    • ~49%
    • In-stock
      Ethyl 2-(2-fluorophenyl)-2-oxoacetate|CS-0151906
      1813-93-0

    References

    • ADVANCED NEURAL DYNAMICS, INC.; FOX CHASE CHEMICAL DIVERSITY CENTER, INC.; SMITH, Garry, Robert; BRENNEMAN, Douglas, E.; REITZ, Allen, B.; ZHANG, Yan; DU, Yanming Patent: WO2012/74784 A2, 2012 ; Location in patent: Page/Page column 23-24 ;
  • Route2

    References

    • Collection of Czechoslovak Chemical Communications, , vol. 29, p. 97 - 120
  • Route3

    References

    • Collection of Czechoslovak Chemical Communications, , vol. 29, p. 97 - 120

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.5715
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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