4-(7-Chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzonitrile CAS 1357962-58-3
| CAS No. | 1357962-58-3 |
| Molecular Formula | C16H11ClN2O2 |
| Molecular Weight | 298.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(7-Chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-(7-Chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzonitrile (CAS 1357962-58-3), a certified reference material (molecular formula C16H11ClN2O2, MW 298.72 g/mol) for analytical method development and quality control.
Structurally, 4-(7-Chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzonitrile (C16H11ClN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 298.72 g/mol, it falls into the medium-molecular-weight range. 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.
As a certified reference material (CRM), 4-(7-Chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H11ClN2O2 |
| Molecular Weight | 298.72 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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.) | 1991 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- Quinolin-8-yl (3-chlorophenyl)carbamate (CAS 14628-08-1)
- 1-(2-Chlorophenyl)-5-phenyl-1h-pyrazole-4-carboxylic acid (CAS 1171970-88-9)
- Quinolin-8-yl (4-chlorophenyl)carbamate (CAS 14628-09-2)
- 1-(2-Chlorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid (CAS 116572-69-1)
- 2-(2,4-Dichlorophenoxy)pyridine-3-carboxylic acid (CAS 36701-91-4)
- N-[(4-aminophenyl)methyl]-4-bromobenzamide (CAS 1175834-19-1)
- Dibromochloro(triphenylphosphine)gold (CAS 32425-13-1)
- 4-Bromo-6-chloro-N-ethylpyridazin-3-amine (CAS 1396762-10-9)
- 3-(1-Amino-2-(methylsulfonyl)butyl)aniline (CAS 1707395-94-5)
- 4-Chloro-2-(4-fluorophenyl)quinazoline (CAS 113242-33-4)
- 3-(Thiophen-2-yl)-1-(m-tolyl)-1H-pyrazole-5-carboxylic acid (CAS 618382-84-6)
- 1-[3-chloro-4-(propan-2-yloxy)phenyl]ethan-1-one (CAS 944890-18-0)
- 1-(3-Methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CAS 1239730-19-8)
- Semaglutide impurity 48 (CAS CATO-C4X-222648)
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