Methyl 4,4,4-trifluoroacetoacetate CAS 83643-84-9

Purity 97%+In StockPharmaceutical Standards
CAS No.83643-84-9
Molecular FormulaC5H5F3O3
Molecular Weight170.09 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 4,4,4-trifluoroacetoacetate CAS 83643-84-9 chemical structure

Description

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.

Methyl 4,4,4-trifluoroacetoacetate (CAS 83643-84-9), molecular formula C5H5F3O3 and molecular weight 170.09 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C5H5F3O3, Methyl 4,4,4-trifluoroacetoacetate contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 170.09 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC5H5F3O3
Molecular Weight170.09 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.)1980
Halogen ContentF-containing

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Why CATO?