2-(2-Chloro-5-fluorobenzyl)-4,4-dimethylisoxazolidin-3-one CAS 81778-10-1

Purity 97%+In StockPharmaceutical Standards
CAS No.81778-10-1
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(2-Chloro-5-fluorobenzyl)-4,4-dimethylisoxazolidin-3-one CAS 81778-10-1 chemical structure

Description

2-(2-Chloro-5-fluorobenzyl)-4,4-dimethylisoxazolidin-3-one (C12H13ClFNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

CATO supplies 2-(2-Chloro-5-fluorobenzyl)-4,4-dimethylisoxazolidin-3-one (CAS 81778-10-1), a certified reference material (molecular formula C12H13ClFNO2, MW 257.69 g/mol) for analytical method development and quality control.

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 FormulaC12H13ClFNO2
Molecular Weight257.69 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.)1980
Halogen ContentF/Cl-containing
Nitrogen Atoms1

Related Chloro Standards

Recommended Standards

Why CATO?