7-Fluoro-8-hydroxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one CAS 2226905-06-0

Purity 97%+In StockPharmaceutical Standards
CAS No.2226905-06-0
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

7-Fluoro-8-hydroxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one CAS 2226905-06-0 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 7-Fluoro-8-hydroxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one.

7-Fluoro-8-hydroxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one (CAS 2226905-06-0), molecular formula C10H9FO3 and molecular weight 196.18 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 7-Fluoro-8-hydroxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 196.18 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

Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
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.)1998
Halogen ContentF-containing

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