Ethyl 4,4,5,5,6,6,6-heptafluoro-3-oxohexanoate CAS 336-62-9

Purity 97%+In StockPharmaceutical Standards
CAS No.336-62-9
Molecular FormulaC8H7F7O3
Molecular Weight284.13 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 4,4,5,5,6,6,6-heptafluoro-3-oxohexanoate CAS 336-62-9 chemical structure

Description

Ethyl 4,4,5,5,6,6,6-heptafluoro-3-oxohexanoate (CAS 336-62-9), molecular formula C8H7F7O3 and molecular weight 284.13 g/mol, is a CATO reference standard with documented purity and traceability.

Ethyl 4,4,5,5,6,6,6-heptafluoro-3-oxohexanoate (C8H7F7O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 FormulaC8H7F7O3
Molecular Weight284.13 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityHygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1957
Halogen ContentF-containing

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