3-((3,4-Dichlorobenzyl)thio)-5-(4-ethoxyphenyl)-4-phenyl-4H-1,2,4-triazole CAS 868255-98-5
| CAS No. | 868255-98-5 |
| Molecular Formula | C23H19Cl2N3OS |
| Molecular Weight | 456.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-((3,4-Dichlorobenzyl)thio)-5-(4-ethoxyphenyl)-4-phenyl-4H-1,2,4-triazole (CAS 868255-98-5), molecular formula C23H19Cl2N3OS and molecular weight 456.39 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-((3,4-Dichlorobenzyl)thio)-5-(4-ethoxyphenyl)-4-phenyl-4H-1,2,4-triazole (C23H19Cl2N3OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 456.39 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
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 | C23H19Cl2N3OS |
| Molecular Weight | 456.39 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.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Dichlorobenzyl Standards
- 2-(4-(3,4-Dichlorobenzyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid (CAS 439107-29-6)
- 2-((2,6-Dichlorobenzyl)thio)-7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 338417-67-7)
- 2-(2,6-Dichlorobenzyl)-1-(1-(3,5-dichlorophenyl)-1H-1,2,3-triazol-4-yl)butane-1,3-dione (CAS 677749-44-9)
- 3-(5-((3,4-Dichlorobenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 565466-73-1)
- 1-(2,6-Dichlorobenzyl)-4-(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)piperidine (CAS 321998-73-6)
- 3-(5-((2,6-Dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)-1-phenylpyridazin-4(1H)-one (CAS 478063-62-6)
- 3-((3,4-Dichlorobenzyl)thio)-5-(2-(methylthio)phenyl)-4-phenyl-4H-1,2,4-triazole (CAS 339015-50-8)
- (3-(3-((2,4-Dichlorobenzyl)oxy)phenyl)-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone (CAS 477712-62-2)
Recommended Standards
- Cefuroxime Impurity 24 (CAS 929531-97-5)
- 5-(4-Fluorophenyl)-2-phenyl-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 6111-17-7)
- Ethyl 4-(4-chlorobenzenesulfonyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate (CAS 866150-04-1)
- N-(3-chloro-4-methylphenyl)-2-(2-(((2-chlorophenyl)thio)methyl)-1H-benzo[d]imidazol-1-yl)acetamide (CAS 339101-15-4)
- N-ethyl-2-(4-iodophenoxy)acetamide (CAS 1251234-96-4)
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- 4-Ureido-[2,3'-bithiophene]-5-carboxamide (CAS 354810-98-3)
- 1-chloro-3-methylbutan-2-ol (CAS 55033-10-8)
- 2,4,5-Trimethyl-1h-pyrrole-3-carbaldehyde (CAS 288089-52-1)
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