3-(2-Chloro-6-fluorophenyl)-11-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one CAS 338400-91-2
| CAS No. | 338400-91-2 |
| Molecular Formula | C25H19Cl2FN2O |
| Molecular Weight | 453.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-(2-Chloro-6-fluorophenyl)-11-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one.
3-(2-Chloro-6-fluorophenyl)-11-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 338400-91-2) is a high-purity analytical reference standard with the molecular formula C25H19Cl2FN2O and a molecular weight of 453.34 g/mol.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 3-(2-Chloro-6-fluorophenyl)-11-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 453.34 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C25H19Cl2FN2O |
| Molecular Weight | 453.34 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
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Recommended Standards
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- 2-[(4-(2,4-Dichlorophenyl)-5-{[(2-methoxyphenyl)amino)-methyl}-4H-1,2,4-triazol-3-yl)thio]acetohydrazide (CAS 1306738-57-7)
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- 4-(Cyclopentyloxy)-2-methylbenzenesulfonyl chloride (CAS 1016730-44-1)
- 1,2-Dimethyl-3-propyl-1H-imidazol-3-ium iodide (CAS 218151-78-1)
- N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazine-2-carboxamide (CAS 606096-81-5)
- (S)-2,5-Dioxopyrrolidin-1-yl 2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoate (CAS 39747-65-4)
- Casein Kinase II Receptor Peptide (CAS 198481-81-1)
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