4-(7-Chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzoic acid CAS 950266-82-7
| CAS No. | 950266-82-7 |
| Molecular Formula | C16H12ClNO4 |
| Molecular Weight | 317.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-(7-Chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzoic acid (CAS 950266-82-7) is a high-purity analytical reference standard with the molecular formula C16H12ClNO4 and a molecular weight of 317.72 g/mol.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 4-(7-Chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzoic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 317.72 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), 4-(7-Chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzoic acid 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 | C16H12ClNO4 |
| Molecular Weight | 317.72 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 |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- Fmoc-(S)-3-Amino-2-methylpropanoic acid (CAS 203854-58-4)
- 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 76330-71-7)
- 1,2,3,5-Tetramethylbenzene-d14 (CAS 1219795-11-5)
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- 2,5-Dimethylbenzaldehyde (CAS 5779-94-2)
- 2-(Difluoromethyl)-6-methoxy-4-methylpyridine-3-sulfonamide (CAS 1805066-37-8)
- n-Methyl-1-(3-methyl-1-propoxycyclohexyl)methanamine (CAS 1249051-62-4)
- Semaglutide impurity 41 (CAS CATO-C4X-222641)
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