1,3-Diethyl 2-{2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-oxoethyl}-2-hydroxypropanedioate CAS 400087-53-8

Purity 97%+In StockPharmaceutical Standards
CAS No.400087-53-8
Molecular FormulaC21H20Cl2O7
Molecular Weight455.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,3-Diethyl 2-{2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-oxoethyl}-2-hydroxypropanedioate CAS 400087-53-8 chemical structure

Description

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.

1,3-Diethyl 2-{2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-oxoethyl}-2-hydroxypropanedioate (CAS 400087-53-8), molecular formula C21H20Cl2O7 and molecular weight 455.29 g/mol, is a CATO reference standard with documented purity and traceability.

1,3-Diethyl 2-{2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-oxoethyl}-2-hydroxypropanedioate (C21H20Cl2O7) contains a flavonoid core, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, 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.

Physical & Chemical Properties

Molecular FormulaC21H20Cl2O7
Molecular Weight455.29 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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.)2025
Halogen ContentCl-containing

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