(E)-7-chloro-5-(2-fluorophenyl)-2-(nitromethylene)-2,3-dihydro-1H-benzo[e][1,4]diazepine 4-oxide CAS 60656-76-0
| CAS No. | 60656-76-0 |
| Molecular Formula | C16H11ClFN3O3 |
| Molecular Weight | 347.73 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 (E)-7-chloro-5-(2-fluorophenyl)-2-(nitromethylene)-2,3-dihydro-1H-benzo[e][1,4]diazepine 4-oxide.
(E)-7-chloro-5-(2-fluorophenyl)-2-(nitromethylene)-2,3-dihydro-1H-benzo[e][1,4]diazepine 4-oxide (CAS 60656-76-0) is a high-purity analytical reference standard with the molecular formula C16H11ClFN3O3 and a molecular weight of 347.73 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, (E)-7-chloro-5-(2-fluorophenyl)-2-(nitromethylene)-2,3-dihydro-1H-benzo[e][1,4]diazepine 4-oxide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 347.73 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C16H11ClFN3O3 |
| Molecular Weight | 347.73 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
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