(2,3,4,5,6-pentafluorophenyl) phenylmethanesulfonate CAS 864450-16-8

Purity 97%+In StockPharmaceutical Standards
CAS No.864450-16-8
Molecular FormulaC13H19F5O3S
Molecular Weight350.35 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2,3,4,5,6-pentafluorophenyl) phenylmethanesulfonate CAS 864450-16-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 350.35 g/mol gives (2,3,4,5,6-pentafluorophenyl) phenylmethanesulfonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies (2,3,4,5,6-pentafluorophenyl) phenylmethanesulfonate (CAS 864450-16-8), a certified reference material (molecular formula C13H19F5O3S, MW 350.35 g/mol) for analytical method development and quality control.

Structurally, (2,3,4,5,6-pentafluorophenyl) phenylmethanesulfonate (C13H19F5O3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 350.35 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC13H19F5O3S
Molecular Weight350.35 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityHygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1987
Halogen ContentF-containing
Sulfur Atoms1

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