2-((4-Chlorobenzyl)amino)-2-oxoethyl 2-(methylthio)nicotinate CAS 475054-89-8
| CAS No. | 475054-89-8 |
| Molecular Formula | C16H15ClN2O3S |
| Molecular Weight | 350.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((4-Chlorobenzyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 475054-89-8) is a high-purity analytical reference standard with the molecular formula C16H15ClN2O3S and a molecular weight of 350.82 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, 2-((4-Chlorobenzyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 350.82 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.
As a certified reference material (CRM), 2-((4-Chlorobenzyl)amino)-2-oxoethyl 2-(methylthio)nicotinate 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 | C16H15ClN2O3S |
| Molecular Weight | 350.82 g/mol |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chlorobenzyl Standards
- 2-((2-Chlorobenzyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 475055-13-1)
- 2-(1-(3-Chlorobenzyl)-2-oxo-1,2-dihydropyridine-3-carbonyl)-N-methylhydrazine-1-carbothioamide (CAS 242472-25-9)
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Recommended Standards
- 2-({4-[(6-Chloro-3-pyridinyl)methoxy]-3-methoxyphenyl}methylene)-1-hydrazinecarbothioamide (CAS 861207-89-8)
- 1-Bromo-4,6-dimethylheptane (CAS 5470-78-0)
- 1-((5-Chloro-2-methoxy-4-methylphenyl)sulfonyl)-2-methyl-1H-benzo[d]imidazole (CAS 898647-63-7)
- 3-(4-Chlorophenyl)-1-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole (CAS 338777-18-7)
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