(E)-4,4,4-trifluoro-3-methylbut-2-enoic acid CAS 400-28-2

Purity 97%+In StockPharmaceutical Standards
CAS No.400-28-2
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(E)-4,4,4-trifluoro-3-methylbut-2-enoic acid CAS 400-28-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 154.09 g/mol gives (E)-4,4,4-trifluoro-3-methylbut-2-enoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

(E)-4,4,4-trifluoro-3-methylbut-2-enoic acid (CAS 400-28-2) is a high-purity analytical reference standard with the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol.

The molecular framework of (E)-4,4,4-trifluoro-3-methylbut-2-enoic acid (C5H5F3O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Purity97%+
StorageStore at 2-8°C, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityContains 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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