1,4-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] 2-methylenebutanedioate CAS 98452-82-5

Purity 97%+In StockPharmaceutical Standards
CAS No.98452-82-5
Molecular FormulaC11H6F12O4
Molecular Weight430.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,4-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] 2-methylenebutanedioate CAS 98452-82-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 430.14 g/mol gives 1,4-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] 2-methylenebutanedioate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1,4-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] 2-methylenebutanedioate (CAS 98452-82-5), molecular formula C11H6F12O4 and molecular weight 430.14 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 1,4-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] 2-methylenebutanedioate (C11H6F12O4) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 430.14 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC11H6F12O4
Molecular Weight430.14 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1985
Halogen ContentF-containing

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