Tert-butyl 4,4,4-trifluoro-3-oxobutanoate CAS 26717-75-9

Purity 97%+In StockPharmaceutical Standards
CAS No.26717-75-9
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Tert-butyl 4,4,4-trifluoro-3-oxobutanoate CAS 26717-75-9 chemical structure

Description

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.

Tert-butyl 4,4,4-trifluoro-3-oxobutanoate (CAS 26717-75-9), molecular formula C8H11F3O3 and molecular weight 212.17 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Tert-butyl 4,4,4-trifluoro-3-oxobutanoate (C8H11F3O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 212.17 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

Physical & Chemical Properties

Molecular FormulaC8H11F3O3
Molecular Weight212.17 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.)1964
Halogen ContentF-containing

Recommended Standards

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