2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 4-chloro-2-nitrobenzoate CAS 878219-12-6
| CAS No. | 878219-12-6 |
| Molecular Formula | C15H16ClN3O5 |
| Molecular Weight | 353.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 4-chloro-2-nitrobenzoate 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.
2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 4-chloro-2-nitrobenzoate (CAS 878219-12-6), molecular formula C15H16ClN3O5 and molecular weight 353.76 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 4-chloro-2-nitrobenzoate (C15H16ClN3O5) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C15H16ClN3O5 |
| Molecular Weight | 353.76 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 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- N2-(4-chlorobenzyl)-N6,1-dimethyl-3,5-dinitro-1,4-dihydropyridine-2,6-diamine (CAS 338777-94-9)
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- 6-Chloro-5-(cyanomethyl)-4-(difluoromethyl)nicotinonitrile (CAS 1806968-29-5)
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- (3-((Trimethylsilyl)ethynyl)phenyl)methanamine (CAS 615288-77-2)
- 5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CAS 1171920-15-2)
- Semaglutide impurity 72 (CAS CATO-C4X-222672)
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