2,2,2-Trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate CAS 445463-63-8

Purity 97%+In StockPharmaceutical Standards
CAS No.445463-63-8
Molecular FormulaC13H16Cl3O6PS
Molecular Weight437.66 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2,2,2-Trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate CAS 445463-63-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 437.66 g/mol gives 2,2,2-Trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2,2,2-Trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate (CAS 445463-63-8), molecular formula C13H16Cl3O6PS and molecular weight 437.66 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C13H16Cl3O6PS, 2,2,2-Trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate contains a sulfone group, a phosphate ester group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 437.66 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.

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 FormulaC13H16Cl3O6PS
Molecular Weight437.66 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Sulfur Atoms1

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