4-((3,5-Dibromo-2-hydroxybenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione CAS 497922-03-9
| CAS No. | 497922-03-9 |
| Molecular Formula | C17H14Br2N4O2S |
| Molecular Weight | 498.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-((3,5-Dibromo-2-hydroxybenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-((3,5-Dibromo-2-hydroxybenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 497922-03-9), a certified reference material (molecular formula C17H14Br2N4O2S, MW 498.19 g/mol) for analytical method development and quality control.
Based on its molecular formula C17H14Br2N4O2S, 4-((3,5-Dibromo-2-hydroxybenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 498.19 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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), 4-((3,5-Dibromo-2-hydroxybenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione 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 | C17H14Br2N4O2S |
| Molecular Weight | 498.19 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 1,2,2,6,6-PENTAMETHYLPIPERIDINE (CAS 79-55-0)
- N'-(4-bromobenzylidene)-4-methylbenzenesulfonohydrazide (CAS 19350-68-6)
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- 3,3-Dimethyl-1-(piperazin-1-yl)butan-2-one (CAS 926229-38-1)
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- 2,3-Dibromo-5,6-difluorothiophenol (CAS 1803715-76-5)
- 2-Chlorobenzene-1,3,5-tricarbaldehyde (CAS 102626-20-0)
- (4'-(Diphenylamino)-[1,1'-biphenyl]-4-yl)boronic acid (CAS 668493-36-5)
- D-Pro37-Tirzepatide (CAS CATO-CPTD788902)
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