Methyl 4-bromo-2-cyano-5-(trifluoromethyl)benzoate CAS 1805522-63-7

Description

Compared with other compounds in its class, the molecular weight of 308.05 g/mol gives Methyl 4-bromo-2-cyano-5-(trifluoromethyl)benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 4-bromo-2-cyano-5-(trifluoromethyl)benzoate (CAS 1805522-63-7) is a high-purity analytical reference standard with the molecular formula C10H5BrF3NO2 and a molecular weight of 308.05 g/mol.

Methyl 4-bromo-2-cyano-5-(trifluoromethyl)benzoate (C10H5BrF3NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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

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