5-(4-Fluorophenyl)-3-methyl-5-oxopentanoic acid CAS 845781-35-3

Purity 97%+In StockPharmaceutical Standards
CAS No.845781-35-3
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(4-Fluorophenyl)-3-methyl-5-oxopentanoic acid CAS 845781-35-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 224.23 g/mol gives 5-(4-Fluorophenyl)-3-methyl-5-oxopentanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-(4-Fluorophenyl)-3-methyl-5-oxopentanoic acid (CAS 845781-35-3), molecular formula C12H13FO3 and molecular weight 224.23 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C12H13FO3, 5-(4-Fluorophenyl)-3-methyl-5-oxopentanoic acid contains 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 224.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC12H13FO3
Molecular Weight224.23 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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing

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