4-((3-Bromobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione CAS 613249-44-8
| CAS No. | 613249-44-8 |
| Molecular Formula | C17H15BrN4OS |
| Molecular Weight | 403.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 4-((3-Bromobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 613249-44-8), a certified reference material (molecular formula C17H15BrN4OS, MW 403.30 g/mol) for analytical method development and quality control.
The molecular framework of 4-((3-Bromobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (C17H15BrN4OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine 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. 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.
Physical & Chemical Properties
| Molecular Formula | C17H15BrN4OS |
| Molecular Weight | 403.30 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Bromobenzylidene Standards
- 4-((2-Bromobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 497921-75-2)
- 4-((4-Bromobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 613249-70-0)
- 8-(2-(4-Bromobenzylidene)hydrazinyl)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 374916-08-2)
- 5-(p-Bromobenzylidene)-a-isopropyl-4-oxo-2-thioxo-3-thiazolidine acetic acid (CAS 300817-68-9)
- 2-(2-(3-Bromobenzylidene)hydrazinyl)-N-(naphthalen-1-yl)-2-oxoacetamide (CAS 331264-78-9)
- 2-(2-Bromobenzylidene)-6-phenyl-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CAS 463366-89-4)
- 4-((2-Bromobenzylidene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478254-12-5)
- 4-((2-Bromobenzylidene)amino)-3-(3-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478254-91-0)
Recommended Standards
- 4-((3-Bromo-4-methoxybenzylidene)amino)-3-(m-tolyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478256-34-7)
- 4-((5-Bromo-2-methoxybenzylidene)amino)-3-(m-tolyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478255-64-0)
- 3-(2,6-Dichlorophenyl)-5-methyl-N-[3-methyl-4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide (CAS 946387-21-9)
- Methyl 3,5-bis(3-chloro-2,2-dimethylpropanamido)benzoate (CAS 478261-93-7)
- (1S,2R,5R)-5-(6-Amino-9H-purin-9-yl)-3-((R)-1-hydroxypropyl)cyclopent-3-ene-1,2-diol (CAS 194353-48-5)
- 6-Chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (CAS 27131-84-6)
- 2-(6-Chloropyridin-3-yl)-1,5,6-trimethyl-1H-benzo[d]imidazole (CAS 337920-57-7)
- 2-(Aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-6-methanol (CAS 1805276-94-1)
- 4-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]formamido}-N-[(4-methylphenyl)methyl]butanamide (CAS 956959-91-4)
- 3,4-Difluoro-N-methylaniline (CAS 138563-54-9)
- 3-(3-Chloro-5-fluorophenyl)-1-(m-tolyl)propan-1-one (CAS 898750-07-7)
- 2-(2-Amino-4-oxo-4,5-dihydrothiazol-5-yl)-N-(4-ethoxyphenyl)acetamide (CAS 301683-38-5)
- 1-(Cyclopentylmethyl)cyclobutane-1-carbonitrile (CAS 1491706-47-8)
- Des-Leu14-Tirzepatide (CAS CATO-CPTD788959)
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