6,8-Dichloro-2-(4-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one CAS 40728-56-1

Purity 97%+In StockPharmaceutical Standards
CAS No.40728-56-1
Molecular FormulaC14H6Cl2FNO2
Molecular Weight310.11 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6,8-Dichloro-2-(4-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one CAS 40728-56-1 chemical structure

Description

The occurrence of 6,8-Dichloro-2-(4-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

6,8-Dichloro-2-(4-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one (CAS 40728-56-1), molecular formula C14H6Cl2FNO2 and molecular weight 310.11 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 6,8-Dichloro-2-(4-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one (C14H6Cl2FNO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 FormulaC14H6Cl2FNO2
Molecular Weight310.11 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light
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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1968
Halogen ContentF/Cl-containing
Nitrogen Atoms1

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