4,4,4-Trifluoro-1-(thiophen-3-yl)butane-1,3-dione CAS 77611-51-9

Purity 97%+In StockPharmaceutical Standards
CAS No.77611-51-9
Molecular FormulaC8H5F3O2S
Molecular Weight222.18 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4,4,4-Trifluoro-1-(thiophen-3-yl)butane-1,3-dione CAS 77611-51-9 chemical structure

Description

The occurrence of 4,4,4-Trifluoro-1-(thiophen-3-yl)butane-1,3-dione 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.

CATO supplies 4,4,4-Trifluoro-1-(thiophen-3-yl)butane-1,3-dione (CAS 77611-51-9), a certified reference material (molecular formula C8H5F3O2S, MW 222.18 g/mol) for analytical method development and quality control.

Based on its molecular formula C8H5F3O2S, 4,4,4-Trifluoro-1-(thiophen-3-yl)butane-1,3-dione contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 222.18 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

CATO manufactures 4,4,4-Trifluoro-1-(thiophen-3-yl)butane-1,3-dione under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC8H5F3O2S
Molecular Weight222.18 g/mol
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1979
Halogen ContentF-containing
Sulfur Atoms1

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