3-Chloro-4,5-dimethoxybenzo[b]thiophene-2-carboxylic acid CAS 1171060-81-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1171060-81-3
Molecular FormulaC11H9ClO4S
Molecular Weight272.70 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Chloro-4,5-dimethoxybenzo[b]thiophene-2-carboxylic acid CAS 1171060-81-3 chemical structure

Description

The occurrence of 3-Chloro-4,5-dimethoxybenzo[b]thiophene-2-carboxylic acid is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-Chloro-4,5-dimethoxybenzo[b]thiophene-2-carboxylic acid (CAS 1171060-81-3), molecular formula C11H9ClO4S and molecular weight 272.70 g/mol, is a CATO reference standard with documented purity and traceability.

3-Chloro-4,5-dimethoxybenzo[b]thiophene-2-carboxylic acid (C11H9ClO4S) contains a sulfone group, 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC11H9ClO4S
Molecular Weight272.70 g/mol
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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentCl-containing
Sulfur Atoms1

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