3-((3-Chlorobenzyl)thio)-5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazole CAS 477332-59-5
| CAS No. | 477332-59-5 |
| Molecular Formula | C22H17Cl2N3S |
| Molecular Weight | 426.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-((3-Chlorobenzyl)thio)-5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazole (CAS 477332-59-5), molecular formula C22H17Cl2N3S and molecular weight 426.36 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-((3-Chlorobenzyl)thio)-5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazole (C22H17Cl2N3S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C22H17Cl2N3S |
| Molecular Weight | 426.36 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chlorobenzyl Standards
- 3-((2-Chlorobenzyl)thio)-5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazole (CAS 443738-33-8)
- 3-((4-Chlorobenzyl)sulfonyl)-N-(4-chlorophenyl)thiophene-2-carboxamide (CAS 251097-10-6)
- (E)-5-((2-chlorobenzyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2-chloroacetyl) oxime (CAS 321553-34-8)
- 1-(4-Chlorobenzyl)-4-(2,4-difluorobenzoyl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (CAS 317822-43-8)
- N-(4-chlorobenzyl)-2-((3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetamide (CAS 626221-53-2)
- 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide (CAS 790288-44-7)
- 1,3-Bis(4-chlorobenzyl)-2-(4-methoxyphenyl)imidazolidine (CAS 5428-35-3)
- 5-(4-((2-Chlorobenzyl)oxy)-3-iodophenyl)-1,3,4-oxadiazol-2-amine (CAS 1706445-19-3)
Recommended Standards
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- Methyl 4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-((2-(trimethylsilyl)ethoxy)methoxy)benzoate (CAS 2787516-03-2)
- Heptyl 6-bromo-2-phenylquinoline-4-carboxylate (CAS 355419-69-1)
- Dichlorodimethyl-d (CAS 80311-36-0)
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- Methyl 1-(3-methoxy-3-oxopropyl)-4-piperidinecarboxylate (CAS 320424-44-0)
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- Met(O)14-Exenatide trifluoroacetate salt (CAS 1678417-38-3)
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