9-Chloro-5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepin-8-yl pivalate CAS 2226905-31-1

Description

The occurrence of 9-Chloro-5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepin-8-yl pivalate is closely related to a flavonoid core, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

9-Chloro-5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepin-8-yl pivalate (CAS 2226905-31-1), molecular formula C15H17ClO4 and molecular weight 296.75 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a flavonoid core, a hydroxyl group, an ether linkage, chlorine substitution, 9-Chloro-5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepin-8-yl pivalate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 296.75 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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

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