(2-Fluoro-4-(methylthio)phenyl)boronic acid CAS 957060-84-3

Purity 97%+In StockPharmaceutical Standards
CAS No.957060-84-3
Molecular FormulaC7H8BFO2S
Molecular Weight186.01 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2-Fluoro-4-(methylthio)phenyl)boronic acid CAS 957060-84-3 chemical structure

Description

The occurrence of (2-Fluoro-4-(methylthio)phenyl)boronic acid is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(2-Fluoro-4-(methylthio)phenyl)boronic acid (CAS 957060-84-3) is a high-purity analytical reference standard with the molecular formula C7H8BFO2S and a molecular weight of 186.01 g/mol.

The molecular framework of (2-Fluoro-4-(methylthio)phenyl)boronic acid (C7H8BFO2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC7H8BFO2S
Molecular Weight186.01 g/mol
Purity97%+
StorageStore at 2-8°C, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)3.5
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1987
Halogen ContentF-containing
Sulfur Atoms1

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