4-Oxothiochroman-7-yl trifluoromethanesulfonate CAS 2768536-01-0

Purity 97%+In StockPharmaceutical Standards
CAS No.2768536-01-0
Molecular FormulaC10H7F3O4S2
Molecular Weight312.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Oxothiochroman-7-yl trifluoromethanesulfonate CAS 2768536-01-0 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-Oxothiochroman-7-yl trifluoromethanesulfonate.

4-Oxothiochroman-7-yl trifluoromethanesulfonate (CAS 2768536-01-0), molecular formula C10H7F3O4S2 and molecular weight 312.29 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C10H7F3O4S2, 4-Oxothiochroman-7-yl trifluoromethanesulfonate 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 312.29 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 FormulaC10H7F3O4S2
Molecular Weight312.29 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2003
Halogen ContentF-containing
Sulfur Atoms2

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