2-((3-Fluorobenzyl)thio)acetic acid CAS 85582-69-0

Purity 97%+In StockPharmaceutical Standards
CAS No.85582-69-0
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((3-Fluorobenzyl)thio)acetic acid CAS 85582-69-0 chemical structure

Description

The occurrence of 2-((3-Fluorobenzyl)thio)acetic acid is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-((3-Fluorobenzyl)thio)acetic acid (CAS 85582-69-0), a certified reference material (molecular formula C9H9FO2S, MW 200.23 g/mol) for analytical method development and quality control.

Based on its molecular formula C9H9FO2S, 2-((3-Fluorobenzyl)thio)acetic acid contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 200.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Purity97%+
StorageStore at room temperature, 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)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1981
Halogen ContentF-containing
Sulfur Atoms1

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