(2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoic acid, methyl ester CAS 1065168-05-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1065168-05-9
Molecular FormulaC10H8BrFO2
Molecular Weight259.07 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoic acid, methyl ester CAS 1065168-05-9 chemical structure

Description

The occurrence of (2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoic acid, methyl ester is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoic acid, methyl ester (CAS 1065168-05-9), molecular formula C10H8BrFO2 and molecular weight 259.07 g/mol, is a CATO reference standard with documented purity and traceability.

(2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoic acid, methyl ester (C10H8BrFO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. 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 FormulaC10H8BrFO2
Molecular Weight259.07 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentF/Br-containing

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