Ethyl 5-{[(4-chlorophenyl)methyl]amino}-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate CAS 339098-45-2
| CAS No. | 339098-45-2 |
| Molecular Formula | C20H19ClN4O2 |
| Molecular Weight | 382.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), Ethyl 5-{[(4-chlorophenyl)methyl]amino}-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate 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.
Ethyl 5-{[(4-chlorophenyl)methyl]amino}-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate (CAS 339098-45-2), molecular formula C20H19ClN4O2 and molecular weight 382.84 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 5-{[(4-chlorophenyl)methyl]amino}-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate (C20H19ClN4O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 382.84 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C20H19ClN4O2 |
| Molecular Weight | 382.84 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
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- Baclofen impurity 16 (CAS 84803-73-6)
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- 6-Bromo-2-methyl-1,4-dihydroisoquinolin-3(2H)-one (CAS 1780092-35-4)
- N-Methyl-3-nitrobenzylamine (CAS 19499-61-7)
- 3-(Chloromethyl)-2,6-dimethylpyridine (CAS 741668-77-9)
- 2-Amino-1-(4-methylphenyl)ethan-1-ol hydrochloride (CAS 68215-43-0)
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