2-(4-Chlorophenyl)-4-methyl-6-(2-phenylpyrimidin-4-yl)-1,2,4-triazine-3,5(2H,4H)-dione CAS 477854-28-7
| CAS No. | 477854-28-7 |
| Molecular Formula | C20H14ClN5O2 |
| Molecular Weight | 391.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 391.81 g/mol gives 2-(4-Chlorophenyl)-4-methyl-6-(2-phenylpyrimidin-4-yl)-1,2,4-triazine-3,5(2H,4H)-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(4-Chlorophenyl)-4-methyl-6-(2-phenylpyrimidin-4-yl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 477854-28-7) is a high-purity analytical reference standard with the molecular formula C20H14ClN5O2 and a molecular weight of 391.81 g/mol.
Structurally, 2-(4-Chlorophenyl)-4-methyl-6-(2-phenylpyrimidin-4-yl)-1,2,4-triazine-3,5(2H,4H)-dione (C20H14ClN5O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 391.81 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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-Chlorophenyl)-4-methyl-6-(2-phenylpyrimidin-4-yl)-1,2,4-triazine-3,5(2H,4H)-dione 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 | C20H14ClN5O2 |
| Molecular Weight | 391.81 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Related Chlorophenyl Standards
- 3-[1-(4-Chlorophenyl)-4-oxo-1,4-dihydropyridazin-3-yl]-N-phenyl-1H-pyrazole-1-carboxamide (CAS 318498-07-6)
- Ethyl 5-((3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-4,5-dihydroisoxazole-3-carboxylate (CAS 321432-32-0)
- 3-(4-Chlorophenyl)-6-fluoro-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide (CAS 1024203-38-0)
- methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (CAS 170571-20-7)
- 4-[(E)-2-(2-Chlorophenyl)ethenyl]-6-(trifluoromethyl)-2H,3H-thieno[3,2-c]quinoline (CAS 865658-33-9)
- 3-((4-Chlorophenyl)amino)-2-(3,4-dimethoxyphenyl)-1H-inden-1-one (CAS 946386-82-9)
- N-(4-((3-(2-Chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino)phenyl)acetamide (CAS 890635-18-4)
- Ethyl 2-(2-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)(methyl)amino)thiazol-5-yl)acetate (CAS 1092959-64-2)
Recommended Standards
- (2R,3R,4S,5R)-2-(6-((3-Chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (CAS 23660-97-1)
- 1-(2-Chloro-4-hydroxyphenyl)-4-oxo-7-(pyridin-4-yl)-1,4-dihydroquinoline-3-carboxamide (CAS 164261-17-0)
- N-(3-chloro-4-(cyano(phenyl)methyl)phenyl)-2-nitrobenzamide (CAS 1387046-87-8)
- 1-(Tert-butyldimethylsilyl)-4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS 1256360-33-4)
- Protirelin EP Impurity C (CAS 32159-22-1)
- 6-Chloro-2-methylisoindolin-1-one (CAS 58141-51-8)
- 3-(Piperidin-1-ylsulfonyl)benzoyl chloride (CAS 854167-08-1)
- 2-Methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid (CAS 905807-83-2)
- 3-(3-Carboethoxybenzoyl)thiophene (CAS 896618-51-2)
- 6-(Dimethoxymethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 134924-81-5)
- tert-Butyl 3-{[(4-bromophenyl)methyl]amino}piperidine-1-carboxylate (CAS 887584-43-2)
- 3-(Cyclohexylamino)pyrrolidine-2,5-dione (CAS 1189013-16-8)
- 1-(1,4-dioxan-2-ylmethyl)piperazine (CAS 329217-47-2)
- Autocamtide-2-Related Inhibitory Peptide TFA (CAS 167114-91-2（free base）)
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