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CS-W001157 4
Total: USD 88.00

Ethyl 3-fluorobenzoate

  • CAS No. 451-02-5

  • Cat. No. CS-W020154
  • Molecule weight168.16
  • Purity≥98%
  • MDL No.MFCD00000336

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

Ethyl 3-fluorobenzoate|CS-W020154

Structure of 451-02-5

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General Information

  • CAS No. 451-02-5
  • Cat. No. CS-W020154
  • Purity ≥98%
  • MDL No. MFCD00000336
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉FO₂
  • Molecular Weight 168.16
  • Synonym(s) Benzoic acid, 3-fluoro-, ethyl ester
  • SMILES O=C(OCC)C1=CC=CC(F)=C1

Description

Ethyl 3-fluorobenzoate has been used in the synthesis of [2-(3-fluorophenyl)allyl]trimethylsilane.

Synthesis

  • Route1
    • null|null
      15226-74-1
    • null|null
      64-17-5
    • In-stock
      3-Bromofluorobenzene|CS-0015728
      1073-06-9
    • ~68%
    • In-stock
      Ethyl 3-fluorobenzoate|CS-W020154
      451-02-5

    References

    • Baburajan; Senthilkumaran; Elango, Kuppanagounder P. New Journal of Chemistry, 2013 , vol. 37, # 10 p. 3050 - 3056
  • Route2

    References

    • Hoechst Aktiengesellschaft Patent: US5446190 A1, 1995 ;
  • Route3

    References

    • Fier, Patrick S.; Luo, Jingwei; Hartwig, John F. Journal of the American Chemical Society, 2013 , vol. 135, # 7 p. 2552 - 2559

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0024
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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