Methyl 2-fluoro-5-(methylsulfonyl)benzoate CAS 865663-98-5

Purity 97%+In StockPharmaceutical Standards
CAS No.865663-98-5
Molecular FormulaC9H9FO4S
Molecular Weight232.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 2-fluoro-5-(methylsulfonyl)benzoate CAS 865663-98-5 chemical structure

Description

The occurrence of Methyl 2-fluoro-5-(methylsulfonyl)benzoate 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.

Methyl 2-fluoro-5-(methylsulfonyl)benzoate (CAS 865663-98-5), molecular formula C9H9FO4S and molecular weight 232.23 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Methyl 2-fluoro-5-(methylsulfonyl)benzoate (C9H9FO4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 232.23 g/mol, it falls into the medium-molecular-weight range. 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.

As a certified reference material (CRM), Methyl 2-fluoro-5-(methylsulfonyl)benzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC9H9FO4S
Molecular Weight232.23 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, 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)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Sulfur Atoms1

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