Methyl 4,4-difluoro-3-oxobutanoate CAS 89129-66-8

Purity 97%+In StockPharmaceutical Standards
CAS No.89129-66-8
Molecular FormulaC5H6F2O3
Molecular Weight152.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 4,4-difluoro-3-oxobutanoate CAS 89129-66-8 chemical structure

Description

The occurrence of Methyl 4,4-difluoro-3-oxobutanoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies Methyl 4,4-difluoro-3-oxobutanoate (CAS 89129-66-8), a certified reference material (molecular formula C5H6F2O3, MW 152.10 g/mol) for analytical method development and quality control.

Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, Methyl 4,4-difluoro-3-oxobutanoate is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 152.10 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.

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 FormulaC5H6F2O3
Molecular Weight152.10 g/mol
Purity97%+
StorageStore at 2-8°C, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO, water
StabilityHygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1982
Halogen ContentF-containing

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