Atomfair 4-(4-Chlorobenzoyl)phenyl trifluoromethanesulfonate C14H8ClF3O4S CAS 78930-82-2

Description

4-(4-Chlorobenzoyl)phenyl trifluoromethanesulfonate (CAS No. 78930-82-2) is a high-purity organic compound with the molecular formula C₁₄H₈ClF₃O₄S. This specialized reagent is widely used in synthetic organic chemistry, particularly in cross-coupling reactions and as a versatile intermediate in pharmaceutical and agrochemical research. The compound features a reactive trifluoromethanesulfonate (triflate) group, making it an excellent leaving group for nucleophilic substitution reactions. Its structural complexity and high reactivity make it valuable for constructing advanced molecular architectures. Supplied as a crystalline solid with ≥95% purity (HPLC), this product is rigorously tested for quality assurance, including NMR and LC-MS characterization. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability.

Properties

• CAS Number: 78930-82-2
• Complexity: 513
• IUPAC Name: [4-(4-chlorobenzoyl)phenyl] trifluoromethanesulfonate
• InChI: InChI=1S/C14H8ClF3O4S/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)22-23(20,21)14(16,17)18/h1-8H
• InChI Key: IFPRXRNLHSINMU-UHFFFAOYSA-N
• Exact Mass: 363.9783921
• Molecular Formula: C14H8ClF3O4S
• Molecular Weight: 364.7
• SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OS(=O)(=O)C(F)(F)F
• Topological: 68.8
• Monoisotopic Mass: 363.9783921
• Synonyms: 4-(4-Chlorobenzoyl)phenyl trifluoromethanesulfonate, 78930-82-2, SCHEMBL8537629, DTXSID40541265, IFPRXRNLHSINMU-UHFFFAOYSA-N

Application

4-(4-Chlorobenzoyl)phenyl trifluoromethanesulfonate serves as a key intermediate in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions for biaryl synthesis. The triflate group’s superior leaving ability enables efficient aryl-aryl bond formation under mild conditions. Researchers utilize this compound in medicinal chemistry for developing drug candidates with chlorobenzoyl pharmacophores. It also finds application in materials science for constructing conjugated organic frameworks with tailored electronic properties.

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