4-(4-Chlorophenyl)-3-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole CAS 618880-63-0
| CAS No. | 618880-63-0 |
| Molecular Formula | C22H17ClN4O3S |
| Molecular Weight | 452.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 452.91 g/mol gives 4-(4-Chlorophenyl)-3-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-(4-Chlorophenyl)-3-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole (CAS 618880-63-0), molecular formula C22H17ClN4O3S and molecular weight 452.91 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C22H17ClN4O3S, 4-(4-Chlorophenyl)-3-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 452.91 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), 4-(4-Chlorophenyl)-3-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole 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 | C22H17ClN4O3S |
| Molecular Weight | 452.91 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluorophenyl)acetamide (CAS 477329-11-6)
- 1-Benzyl-3-[(4-chlorophenyl)sulfanyl]-4-[(4-methoxyphenyl)amino]pyrrolidine-2,5-dione (CAS 317821-86-6)
- 2-[4-(3-Chlorophenyl)piperazin-1-yl]-7-(4-methoxyphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one (CAS 1226448-86-7)
- 2-(4-(2-Chlorophenyl)piperazin-1-yl)-7-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4(1H)-one (CAS 1226458-51-0)
- 7-(2-Chlorophenyl)-2-(4-(2-methoxyphenyl)piperazin-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one (CAS 1242932-94-0)
- 5-(4-Chlorophenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one (CAS 609793-43-3)
- 3-(4-Chlorophenyl)-2-((2-oxo-2-phenylethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 586988-78-5)
- 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(4-fluorophenyl)sulfanyl]-2-phenylpyrimidine (CAS 338960-99-9)
Recommended Standards
- Tris(decyl)silane (CAS 18765-73-6)
- 4-(Benzyloxy)phenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 332126-59-7)
- Elvitegravir-d6 (Major) (CAS 1131640-69-1)
- Methyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-6-methylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate (CAS 387831-28-9)
- 2,2-Dimethyl-3,5-hexanedione 7307-04-2 2,2-DIMETHYL-3,5-HEXANEDIONE;2,2-DIMETHYLHEXANE-3,5-DIONE;5,5-DIMETHYL-2,4-HEXANEDIONE;5,5-DIMETHYLHEXANE-2,4-DIONE SC11833 (CAS 7307-04-2)
- (Z)-4-(4-Fluorobenzylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CAS 380437-34-3)
- 3-(Pyrimidin-2-yloxy)propan-1-amine (CAS 143340-90-3)
- N-(3-bromophenyl)cyclopropanesulfonamide (CAS 1235063-43-0)
- 4-Ethoxy-N-(2-methoxy-5-nitrophenyl)benzamide (CAS 349109-82-6)
- n-Octylcyclohexane (CAS 1795-15-9)
- 2-Phenyl-N-(2-(piperidin-1-yl)ethyl)quinolin-4-amine (CAS 853310-63-1)
- Elagolix Impurity 72 (CAS CATO-C4X-206872)
- N-[(1R*,4R*)-4-Aminocyclohexyl]-3,3-dimethylbutanamide hydrochloride (CAS 1286272-72-7)
- Tirzepatide Impurity 57 (CAS CATO-C4X-324057)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com