4-((2-Chloro-6-fluorobenzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione CAS 578701-28-7
| CAS No. | 578701-28-7 |
| Molecular Formula | C15H9ClF2N4S |
| Molecular Weight | 350.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-((2-Chloro-6-fluorobenzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione (C15H9ClF2N4S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
4-((2-Chloro-6-fluorobenzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 578701-28-7), molecular formula C15H9ClF2N4S and molecular weight 350.77 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C15H9ClF2N4S |
| Molecular Weight | 350.77 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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.) | 1984 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-methylpropanamide (CAS 338754-00-0)
- 4-((2-Chloro-6-fluorobenzylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 676459-06-6)
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Recommended Standards
- 4-(4-Chlorophenyl)-2-(4-fluorophenyl)phthalazin-1(2H)-one (CAS 338756-80-2)
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- Methyl 3-{[(3-chloroanilino)carbonyl]amino}-3-(3-fluorophenyl)propanoate (CAS 439121-10-5)
- 2-(4-(4-Chlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl)-N-(5-methylisoxazol-3-yl)acetamide (CAS 478045-96-4)
- 7-(4-Methoxyphenyl)-7-oxoheptanenitrile (CAS 898786-66-8)
- (S)-3-Amino-3-(4-aminophenyl)propan-1-ol dihydrochloride (CAS 1374669-67-6)
- (2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-chloro-3-fluorophenoxy)-2-pyrrolidinecarboxylic acid (CAS 869682-16-6)
- Methyl 1-{[1-(4-chlorobenzenesulfonyl)-4-hydroxypiperidin-4-yl]methyl}piperidine-4-carboxylate (CAS 478041-69-9)
- 2-(Difluoromethyl)-4-hydroxy-3-methyl-5-nitropyridine (CAS 1806860-01-4)
- Benzo[d][1,3]dioxol-5-yl(3-methoxyphenyl)methanone (CAS 851958-76-4)
- 3-methyl-3-phenylpyrrolidin-2-one (CAS 51439-71-5)
- (1s)-1-(2,3-Dihydro-1h-inden-1-yl)ethan-1-ol (CAS 1372899-28-9)
- 6-Phenylmorpholin-3-one (CAS 5493-95-8)
- Proinsulin C-Peptide (55-89) (human) (CAS 11097-48-6)
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