Methyl 2-(2-bromo-3-cyano-6-methylphenyl)acetate CAS 1805596-32-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1805596-32-0
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 2-(2-bromo-3-cyano-6-methylphenyl)acetate CAS 1805596-32-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 268.11 g/mol gives Methyl 2-(2-bromo-3-cyano-6-methylphenyl)acetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 2-(2-bromo-3-cyano-6-methylphenyl)acetate (CAS 1805596-32-0), molecular formula C11H10BrNO2 and molecular weight 268.11 g/mol, is a CATO reference standard with documented purity and traceability.

Methyl 2-(2-bromo-3-cyano-6-methylphenyl)acetate (C11H10BrNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 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

Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentBr-containing
Nitrogen Atoms1

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