4-[(4-Bromophenyl)methoxy]-2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-2,3-dihydro-1H-isoindole-1,3-dione CAS 338412-90-1
| CAS No. | 338412-90-1 |
| Molecular Formula | C22H14BrClF3N3O3 |
| Molecular Weight | 540.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-[(4-Bromophenyl)methoxy]-2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-2,3-dihydro-1H-isoindole-1,3-dione (CAS 338412-90-1) is a high-purity analytical reference standard with the molecular formula C22H14BrClF3N3O3 and a molecular weight of 540.72 g/mol.
Structurally, 4-[(4-Bromophenyl)methoxy]-2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-2,3-dihydro-1H-isoindole-1,3-dione (C22H14BrClF3N3O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 540.72 g/mol, it falls into the moderately-high-molecular-weight range. 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 Formula | C22H14BrClF3N3O3 |
| Molecular Weight | 540.72 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl/Br-containing |
| Nitrogen Atoms | 3 |
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