Ethyl 3,4-dibromo-5-fluorobenzoate CAS 1160574-69-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1160574-69-5
Molecular FormulaC9H7Br2FO2
Molecular Weight325.96 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 3,4-dibromo-5-fluorobenzoate CAS 1160574-69-5 chemical structure

Description

The occurrence of Ethyl 3,4-dibromo-5-fluorobenzoate 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-dibromo-5-fluorobenzoate (CAS 1160574-69-5), molecular formula C9H7Br2FO2 and molecular weight 325.96 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C9H7Br2FO2, Ethyl 3,4-dibromo-5-fluorobenzoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 325.96 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC9H7Br2FO2
Molecular Weight325.96 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF/Br-containing

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