1-(2,4-Dichlorobenzyl)-3-phenyl-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium bromide CAS 400856-69-1

Purity 97%+In StockPharmaceutical Standards
CAS No.400856-69-1
Molecular FormulaC21H21Cl2N2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(2,4-Dichlorobenzyl)-3-phenyl-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium bromide CAS 400856-69-1 chemical structure

Description

The occurrence of 1-(2,4-Dichlorobenzyl)-3-phenyl-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium bromide is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(2,4-Dichlorobenzyl)-3-phenyl-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium bromide (CAS 400856-69-1), molecular formula C21H21Cl2N2BrH2O and molecular weight 470.23 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution, 1-(2,4-Dichlorobenzyl)-3-phenyl-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 470.23 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC21H21Cl2N2 Br H2O
Molecular Weight470.23 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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl/Br-containing
Nitrogen Atoms2

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