Methyl 5-chloro-3-methylbenzo[b]thiophene-2-carboxylate CAS 75416-72-7

Purity 97%+In StockPharmaceutical Standards
CAS No.75416-72-7
Molecular FormulaC11H9ClO2S
Molecular Weight240.71 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 5-chloro-3-methylbenzo[b]thiophene-2-carboxylate CAS 75416-72-7 chemical structure

Description

Methyl 5-chloro-3-methylbenzo[b]thiophene-2-carboxylate (CAS 75416-72-7) is a high-purity analytical reference standard with the molecular formula C11H9ClO2S and a molecular weight of 240.71 g/mol.

Based on its molecular formula C11H9ClO2S, Methyl 5-chloro-3-methylbenzo[b]thiophene-2-carboxylate contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 240.71 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC11H9ClO2S
Molecular Weight240.71 g/mol
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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1978
Halogen ContentCl-containing
Sulfur Atoms1

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