Cas no 2070902-77-9 (Trifluoromethyl 4-fluorobenzenesulfonate)

Trifluoromethyl 4-fluorobenzenesulfonate is a highly reactive sulfonate ester widely used as an intermediate in organic synthesis, particularly in the introduction of trifluoromethyl and fluorophenyl groups. Its key advantages include excellent electrophilic properties, enabling efficient functionalization of nucleophilic substrates. The compound’s stability under controlled conditions ensures reliable handling, while its compatibility with various reaction conditions makes it versatile for cross-coupling, fluorination, and trifluoromethylation processes. The presence of both trifluoromethyl and fluorine substituents enhances its utility in pharmaceuticals, agrochemicals, and materials science, where precise structural modifications are critical. High purity grades are available to meet stringent application requirements.
Trifluoromethyl 4-fluorobenzenesulfonate structure
2070902-77-9 structure
Product Name:Trifluoromethyl 4-fluorobenzenesulfonate
CAS No:2070902-77-9
MF:C7H4F4O3S
MW:244.163475036621
CID:4723957
PubChem ID:123131841
Update Time:2025-06-06

Trifluoromethyl 4-fluorobenzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • trifluoromethyl 4-fluorobenzenesulfonate
    • MFCD33023613
    • SY332018
    • CEDNKWXPIPAZQP-UHFFFAOYSA-N
    • E71486
    • trifluoromethyl4-fluorobenzenesulfonate
    • BS-52751
    • AKOS040768827
    • 2070902-77-9
    • trifluoromethyl 4-fluorobenzene-1-sulfonate
    • Trifluoromethyl-4-fluorobenzenesulfonate
    • CS-0131818
    • Trifluoromethyl 4-fluorobenzenesulfonate
    • Inchi: 1S/C7H4F4O3S/c8-5-1-3-6(4-2-5)15(12,13)14-7(9,10)11/h1-4H
    • InChI Key: CEDNKWXPIPAZQP-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)F)(=O)(=O)OC(F)(F)F

Computed Properties

  • Exact Mass: 243.98172781 g/mol
  • Monoisotopic Mass: 243.98172781 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 297
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 51.8
  • Molecular Weight: 244.17

Trifluoromethyl 4-fluorobenzenesulfonate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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