1-(Benzo[b]thiophen-3-yl)-4,4,4-trifluorobutane-1,3-dione CAS 392-29-0

Purity 97%+In StockPharmaceutical Standards
CAS No.392-29-0
Molecular FormulaC12H7F3O2S
Molecular Weight272.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(Benzo[b]thiophen-3-yl)-4,4,4-trifluorobutane-1,3-dione CAS 392-29-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 272.24 g/mol gives 1-(Benzo[b]thiophen-3-yl)-4,4,4-trifluorobutane-1,3-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-(Benzo[b]thiophen-3-yl)-4,4,4-trifluorobutane-1,3-dione (CAS 392-29-0), molecular formula C12H7F3O2S and molecular weight 272.24 g/mol, is a CATO reference standard with documented purity and traceability.

1-(Benzo[b]thiophen-3-yl)-4,4,4-trifluorobutane-1,3-dione (C12H7F3O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. 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 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 FormulaC12H7F3O2S
Molecular Weight272.24 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1957
Halogen ContentF-containing
Sulfur Atoms1

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