Ethyl 3-(4-bromo-2-fluorophenyl)-3-oxopropanoate CAS 112704-80-0

Purity 97%+In StockPharmaceutical Standards
CAS No.112704-80-0
Molecular FormulaC11H10BrFO3
Molecular Weight289.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 3-(4-bromo-2-fluorophenyl)-3-oxopropanoate CAS 112704-80-0 chemical structure

Description

The occurrence of Ethyl 3-(4-bromo-2-fluorophenyl)-3-oxopropanoate 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.

Ethyl 3-(4-bromo-2-fluorophenyl)-3-oxopropanoate (CAS 112704-80-0) is a high-purity analytical reference standard with the molecular formula C11H10BrFO3 and a molecular weight of 289.10 g/mol.

Structurally, Ethyl 3-(4-bromo-2-fluorophenyl)-3-oxopropanoate (C11H10BrFO3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 289.10 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC11H10BrFO3
Molecular Weight289.10 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 sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; 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.)1989
Halogen ContentF/Br-containing

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