Ethyl 4,6-dichloro-2-(methylthio)quinoline-3-carboxylate CAS 227958-96-5

Purity 97%+In StockPharmaceutical Standards
CAS No.227958-96-5
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 4,6-dichloro-2-(methylthio)quinoline-3-carboxylate CAS 227958-96-5 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Ethyl 4,6-dichloro-2-(methylthio)quinoline-3-carboxylate.

Ethyl 4,6-dichloro-2-(methylthio)quinoline-3-carboxylate (CAS 227958-96-5) is a high-purity analytical reference standard with the molecular formula C13H11Cl2NO2S and a molecular weight of 316.20 g/mol.

Ethyl 4,6-dichloro-2-(methylthio)quinoline-3-carboxylate (C13H11Cl2NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 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.

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 FormulaC13H11Cl2NO2S
Molecular Weight316.20 g/mol
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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2022
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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