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CS-W001157 4
Total: USD 88.00

Methyl 4-(fluorocarbonyl)benzoate

  • CAS No. 709-69-3

  • Cat. No. CS-0436795
  • Molecule weight182.15
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(fluorocarbonyl)benzoate|CS-0436795

Structure of 709-69-3

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General Information

  • CAS No. 709-69-3
  • Cat. No. CS-0436795
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇FO₃
  • Molecular Weight 182.15
  • Synonym(s) Benzoic acid, 4-(fluorocarbonyl)-, methyl ester (9CI)
  • SMILES O=C(OC)C1=CC=C(C(F)=O)C=C1

Synthesis

  • Route1

    References

    • Birrell, James A.; Desrosiers, Jean-Nicolas; Jacobsen, Eric N. Journal of the American Chemical Society, 2011 , vol. 133, # 35 p. 13872 - 13875
  • Route2

    References

    • Stavber, Stojan; Planinsek, Zdenka; Zupan, Marko Tetrahedron Letters, 1989 , vol. 30, # 44 p. 6095 - 6096

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   43.37
  • LogP   1.5829
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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