Methyl 5-chloro-2-(trifluoromethylsulfonyloxy)benzoate CAS 494210-98-9

Purity 97%+In StockPharmaceutical Standards
CAS No.494210-98-9
Molecular FormulaC9H6ClF3O5S
Molecular Weight318.65 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 5-chloro-2-(trifluoromethylsulfonyloxy)benzoate CAS 494210-98-9 chemical structure

Description

The occurrence of Methyl 5-chloro-2-(trifluoromethylsulfonyloxy)benzoate is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Methyl 5-chloro-2-(trifluoromethylsulfonyloxy)benzoate (CAS 494210-98-9) is a high-purity analytical reference standard with the molecular formula C9H6ClF3O5S and a molecular weight of 318.65 g/mol.

Based on its molecular formula C9H6ClF3O5S, Methyl 5-chloro-2-(trifluoromethylsulfonyloxy)benzoate contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 318.65 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 5-chloro-2-(trifluoromethylsulfonyloxy)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 FormulaC9H6ClF3O5S
Molecular Weight318.65 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry
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.)2025
Halogen ContentF/Cl-containing
Sulfur Atoms1

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