4-(3-Chlorophenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 860786-37-4
| CAS No. | 860786-37-4 |
| Molecular Formula | C17H16ClN3O2 |
| Molecular Weight | 329.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(3-Chlorophenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-37-4), molecular formula C17H16ClN3O2 and molecular weight 329.78 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-(3-Chlorophenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (C17H16ClN3O2) is characterized by a steroid 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.
As a certified reference material (CRM), 4-(3-Chlorophenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one 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 | C17H16ClN3O2 |
| Molecular Weight | 329.78 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chlorophenyl Standards
- 1242951-47-8 [(5-{[(3-Chlorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)thio]acetic acid MFCD15732220 (CAS 1242951-47-8)
- 3-(4-Chlorophenyl)-5-(4-ethoxy-3-methoxyphenyl)-1H-1,2,4-triazole (CAS 1416347-97-1)
- 3-(2-Chlorophenyl)-5-(4-ethoxy-3-methoxyphenyl)-1H-1,2,4-triazole (CAS 1416348-01-0)
- 5-(4-Chlorophenyl)-6,7-diethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CAS 1956308-00-1)
- 1-[(4-Chlorophenyl)methyl]-4-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 861206-11-3)
- 4-(2-Chlorophenyl)-1-[(4-methoxyphenyl)methyl]-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 861205-98-3)
- 4-(2-Chlorophenyl)-3-methyl-1-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860789-89-5)
- 4-(3-Chlorophenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-41-0)
Recommended Standards
- 4-(4-(3-Chlorophenyl)piperazin-1-yl)-3-methylisoxazolo[5,4-d]pyrimidine (CAS 478062-84-9)
- 4-((4-Chloronaphthalen-1-yl)oxy)-5-methoxy-N,N-dimethylpyrimidin-2-amine (CAS 400085-43-0)
- 4-(4-Chlorophenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-65-8)
- 2-Chloro-N-(3,4-dimethoxyphenyl)-N-methylquinazolin-4-amine (CAS 827030-98-8)
- [3-(difluoromethyl)-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (CAS 1394724-38-9)
- Benzyl (3S,4S)-3-((tert-butoxycarbonyl)amino)-4-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS 246510-69-0)
- Ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate (CAS 76498-32-3)
- 2-(1-Boc-4-piperidyl)thiazole-4-carboxylic Acid (CAS 365413-00-9)
- N'-(3,5-dibromobenzylidene)-4-methylbenzenesulfonohydrazide (CAS 2432855-16-6)
- (4AR,5S)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrido[1,2-a]quinoline-5-carboxylic acid (CAS 1486485-13-5)
- Methyl 2-(5-methylpyrazin-2-yl)acetate (CAS 1197237-11-8)
- Di-O-methylcrenatin (CAS 64121-98-8)
- Pyrimidin-2-yl acetate (CAS 180308-30-9)
- semaglutide (CAS 782487-28-9)
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