2-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium bromide CAS 478945-28-7

Purity 97%+In StockPharmaceutical Standards
CAS No.478945-28-7
Molecular FormulaC21H22ClN2O
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium bromide CAS 478945-28-7 chemical structure

Description

2-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium bromide (CAS 478945-28-7) is a high-purity analytical reference standard with the molecular formula C21H22ClN2OBr and a molecular weight of 433.77 g/mol.

Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution, 2-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium bromide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 433.77 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC21H22ClN2O Br
Molecular Weight433.77 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 DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl/Br-containing
Nitrogen Atoms2

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