Description

4-(Pentafluorosulfur)phenylacetic acid (CAS No. 1839048-23-5) is a high-purity fluorinated organic compound with the molecular formula C₈H₇F₅O₂S. This specialty chemical features a pentafluorosulfur (SF₅) functional group attached to a phenylacetic acid backbone, making it a valuable building block for advanced synthetic applications. The IUPAC name is 2-[4-(pentafluoro-lambda⁶-sulfanyl)phenyl]acetic acid. Its unique structure combines the electron-withdrawing properties of the SF₅ group with the reactivity of the carboxylic acid moiety, enabling precise modifications in pharmaceutical, agrochemical, and materials science research. Available in >95% purity (HPLC), this compound is supplied as a white to off-white crystalline powder, packaged under inert gas to ensure stability. Ideal for researchers developing novel fluorinated compounds, it is compatible with peptide coupling reagents, esterification, and amidation reactions. Store at 2-8°C in a tightly sealed container to prevent moisture absorption.

Properties

• CAS Number: 1839048-23-5
• Complexity: 290
• IUPAC Name: 2-[4-(pentafluoro-lambda6-sulfanyl)phenyl]acetic acid
• InChI: InChI=1S/C8H7F5O2S/c9-16(10,11,12,13)7-3-1-6(2-4-7)5-8(14)15/h1-4H,5H2,(H,14,15)
• InChI Key: HAIVYRSOFXWOFO-UHFFFAOYSA-N
• Exact Mass: 262.00869145
• Molecular Formula: C8H7F5O2S
• Molecular Weight: 262.20
• SMILES: C1=CC(=CC=C1CC(=O)O)S(F)(F)(F)(F)F
• Topological: 38.3
• Monoisotopic Mass: 262.00869145
• Synonyms: 4-(Pentafluorosulfur)phenylacetic acid, 1839048-23-5, 2-[4-(pentafluoro-lambda6-sulfanyl)phenyl]acetic acid, 1211518-20-5, 2-(4-(Pentafluoro-l6-sulfanyl)phenyl)acetic acid, 2-(4-(Pentafluoro-lambda6-sulfanyl)phenyl)acetic acid, MFCD16652426, SCHEMBL18691047, 4-(Pentafluorothio)phenylacetic acid, AKOS015956915, CM-0716, CS-0448709, G90593

Application

4-(Pentafluorosulfur)phenylacetic acid is primarily used as a fluorinated synthon in medicinal chemistry to enhance metabolic stability and lipophilicity of drug candidates. The SF₅ group serves as a bioisostere for tert-butyl or CF₃ moieties in protease inhibitors and kinase modulators. It also finds application in liquid crystal and polymer research, where its strong dipole moment improves dielectric anisotropy. Additionally, agrochemical researchers utilize this compound to develop herbicides with improved environmental persistence.

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