3-(Difluoromethoxy)-5-(methylthio)thiophene-2-carboxylic acid CAS 1707727-81-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1707727-81-8
Molecular FormulaC7H6F2O3S2
Molecular Weight240.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(Difluoromethoxy)-5-(methylthio)thiophene-2-carboxylic acid CAS 1707727-81-8 chemical structure

Description

The occurrence of 3-(Difluoromethoxy)-5-(methylthio)thiophene-2-carboxylic acid is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-(Difluoromethoxy)-5-(methylthio)thiophene-2-carboxylic acid (CAS 1707727-81-8), molecular formula C7H6F2O3S2 and molecular weight 240.25 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-(Difluoromethoxy)-5-(methylthio)thiophene-2-carboxylic acid (C7H6F2O3S2) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 240.25 g/mol, it falls into the medium-molecular-weight range. 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 FormulaC7H6F2O3S2
Molecular Weight240.25 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation
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.)1994
Halogen ContentF-containing
Sulfur Atoms2

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