4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane CAS 648904-89-6

Purity 97%+In StockPharmaceutical Standards
CAS No.648904-89-6
Molecular FormulaC13H16BF3O4S
Molecular Weight336.13 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane CAS 648904-89-6 chemical structure

Description

4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane (CAS 648904-89-6) is a high-purity analytical reference standard with the molecular formula C13H16BF3O4S and a molecular weight of 336.13 g/mol.

4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane (C13H16BF3O4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC13H16BF3O4S
Molecular Weight336.13 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentF-containing
Sulfur Atoms1

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