Methyl 5-bromo-4-(chlorosulfonyl)thiophene-2-carboxylate CAS 1087792-15-1

Purity 97%+In StockPharmaceutical Standards
CAS No.1087792-15-1
Molecular FormulaC6H4BrClO4S2
Molecular Weight319.58 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 5-bromo-4-(chlorosulfonyl)thiophene-2-carboxylate CAS 1087792-15-1 chemical structure

Description

The occurrence of Methyl 5-bromo-4-(chlorosulfonyl)thiophene-2-carboxylate is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine/bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Methyl 5-bromo-4-(chlorosulfonyl)thiophene-2-carboxylate (CAS 1087792-15-1), molecular formula C6H4BrClO4S2 and molecular weight 319.58 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of Methyl 5-bromo-4-(chlorosulfonyl)thiophene-2-carboxylate (C6H4BrClO4S2) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine/bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.

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 FormulaC6H4BrClO4S2
Molecular Weight319.58 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO, water
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentCl/Br-containing
Sulfur Atoms2

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