8,9-Difluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one CAS 1341995-45-6

Purity 97%+In StockPharmaceutical Standards
CAS No.1341995-45-6
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

8,9-Difluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one CAS 1341995-45-6 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 198.17 g/mol gives 8,9-Difluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

8,9-Difluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one (CAS 1341995-45-6) is a high-purity analytical reference standard with the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol.

8,9-Difluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one (C10H8F2O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC10H8F2O2
Molecular Weight198.17 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.)1991
Halogen ContentF-containing

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