tert-Butyl 3-(3-fluorophenyl)-3-oxopropanoate CAS 1628222-77-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1628222-77-4
Molecular FormulaC13H15FO3
Molecular Weight238.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl 3-(3-fluorophenyl)-3-oxopropanoate CAS 1628222-77-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 238.25 g/mol gives tert-Butyl 3-(3-fluorophenyl)-3-oxopropanoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

tert-Butyl 3-(3-fluorophenyl)-3-oxopropanoate (CAS 1628222-77-4) is a high-purity analytical reference standard with the molecular formula C13H15FO3 and a molecular weight of 238.25 g/mol.

tert-Butyl 3-(3-fluorophenyl)-3-oxopropanoate (C13H15FO3) 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 high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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), tert-Butyl 3-(3-fluorophenyl)-3-oxopropanoate 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 FormulaC13H15FO3
Molecular Weight238.25 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.)1993
Halogen ContentF-containing

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