2-(4-Fluoro-2-iodobenzyl)-4,4-dimethylisoxazolidin-3-one CAS 81778-71-4

Purity 97%+In StockPharmaceutical Standards
CAS No.81778-71-4
Molecular FormulaC12H13FINO2
Molecular Weight349.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(4-Fluoro-2-iodobenzyl)-4,4-dimethylisoxazolidin-3-one CAS 81778-71-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 349.14 g/mol gives 2-(4-Fluoro-2-iodobenzyl)-4,4-dimethylisoxazolidin-3-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-(4-Fluoro-2-iodobenzyl)-4,4-dimethylisoxazolidin-3-one (CAS 81778-71-4) is a high-purity analytical reference standard with the molecular formula C12H13FINO2 and a molecular weight of 349.14 g/mol.

The molecular framework of 2-(4-Fluoro-2-iodobenzyl)-4,4-dimethylisoxazolidin-3-one (C12H13FINO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/iodine 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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.

As a certified reference material (CRM), 2-(4-Fluoro-2-iodobenzyl)-4,4-dimethylisoxazolidin-3-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC12H13FINO2
Molecular Weight349.14 g/mol
AppearanceOff-white to pale 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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1980
Halogen ContentF/I-containing
Nitrogen Atoms1

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