4-Oxo-4-(3-Trifluoromethylphenyl)butyric acid CAS 56948-76-6

Purity 97%+In StockPharmaceutical Standards
CAS No.56948-76-6
Molecular FormulaC11H9F3O3
Molecular Weight246.18 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Oxo-4-(3-Trifluoromethylphenyl)butyric acid CAS 56948-76-6 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 246.18 g/mol gives 4-Oxo-4-(3-Trifluoromethylphenyl)butyric acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-Oxo-4-(3-Trifluoromethylphenyl)butyric acid (CAS 56948-76-6), molecular formula C11H9F3O3 and molecular weight 246.18 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-Oxo-4-(3-Trifluoromethylphenyl)butyric acid (C11H9F3O3) contains 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 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 246.18 g/mol, it falls into the medium-molecular-weight range. 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.

As a certified reference material (CRM), 4-Oxo-4-(3-Trifluoromethylphenyl)butyric acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC11H9F3O3
Molecular Weight246.18 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1973
Halogen ContentF-containing

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