2,3-Dibromo-4,4,4-trifluoro-3-methylbutanoic acid CAS 885276-57-3

Purity 97%+In StockPharmaceutical Standards
CAS No.885276-57-3
Molecular FormulaC5H5Br2F3O2
Molecular Weight313.90 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2,3-Dibromo-4,4,4-trifluoro-3-methylbutanoic acid CAS 885276-57-3 chemical structure

Description

The occurrence of 2,3-Dibromo-4,4,4-trifluoro-3-methylbutanoic acid is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2,3-Dibromo-4,4,4-trifluoro-3-methylbutanoic acid (CAS 885276-57-3), molecular formula C5H5Br2F3O2 and molecular weight 313.90 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 2,3-Dibromo-4,4,4-trifluoro-3-methylbutanoic acid (C5H5Br2F3O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine 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 FormulaC5H5Br2F3O2
Molecular Weight313.90 g/mol
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityContains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)1.0
CAS Registry Year (est.)1987
Halogen ContentF/Br-containing

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