6-Chloro-8-(chloromethyl)-4-oxo-4H-1-benzopyran-3-carboxaldehyde CAS 726152-47-2

Purity 97%+In StockPharmaceutical Standards
CAS No.726152-47-2
Molecular FormulaC11H6Cl2O3
Molecular Weight257.07 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-Chloro-8-(chloromethyl)-4-oxo-4H-1-benzopyran-3-carboxaldehyde CAS 726152-47-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 257.07 g/mol gives 6-Chloro-8-(chloromethyl)-4-oxo-4H-1-benzopyran-3-carboxaldehyde distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

6-Chloro-8-(chloromethyl)-4-oxo-4H-1-benzopyran-3-carboxaldehyde (CAS 726152-47-2), molecular formula C11H6Cl2O3 and molecular weight 257.07 g/mol, is a CATO reference standard with documented purity and traceability.

6-Chloro-8-(chloromethyl)-4-oxo-4H-1-benzopyran-3-carboxaldehyde (C11H6Cl2O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. It is notably hygroscopic, 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC11H6Cl2O3
Molecular Weight257.07 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentCl-containing

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