1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylic Acid CAS 80912-58-9

Purity 97%+In StockPharmaceutical Standards
CAS No.80912-58-9
Molecular FormulaC13H13FO3
Molecular Weight236.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylic Acid CAS 80912-58-9 chemical structure

Description

The occurrence of 1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylic Acid is closely related to 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.

1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylic Acid (CAS 80912-58-9) is a high-purity analytical reference standard with the molecular formula C13H13FO3 and a molecular weight of 236.24 g/mol.

1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylic Acid (C13H13FO3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. It is notably hygroscopic, 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 FormulaC13H13FO3
Molecular Weight236.24 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1980
Halogen ContentF-containing

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