3-Bromo-4-((2,4-dichlorobenzyl)oxy)-5-ethoxybenzonitrile CAS 1706449-13-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1706449-13-9
Molecular FormulaC16H12BrCl2NO2
Molecular Weight401.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Bromo-4-((2,4-dichlorobenzyl)oxy)-5-ethoxybenzonitrile CAS 1706449-13-9 chemical structure

Description

3-Bromo-4-((2,4-dichlorobenzyl)oxy)-5-ethoxybenzonitrile (CAS 1706449-13-9) is a high-purity analytical reference standard with the molecular formula C16H12BrCl2NO2 and a molecular weight of 401.08 g/mol.

Based on its molecular formula C16H12BrCl2NO2, 3-Bromo-4-((2,4-dichlorobenzyl)oxy)-5-ethoxybenzonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 401.08 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 FormulaC16H12BrCl2NO2
Molecular Weight401.08 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, protect from light
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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1994
Halogen ContentCl/Br-containing
Nitrogen Atoms1

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