5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine CAS 680216-97-1
| CAS No. | 680216-97-1 |
| Molecular Formula | C21H14ClF3N4S |
| Molecular Weight | 446.88 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.
5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine (CAS 680216-97-1), molecular formula C21H14ClF3N4S and molecular weight 446.88 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 446.88 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C21H14ClF3N4S |
| Molecular Weight | 446.88 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.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related benzylthio Standards
- 2-(Benzylthio)-3-((2,4,6-trichlorophenyl)diazenyl)-1H-indole (CAS 478042-11-4)
- 2-(Benzylthio)-4-((4-methoxyphenyl)thio)benzo[4,5]thieno[3,2-d]pyrimidine (CAS 478029-99-1)
- (E)-4-(benzylthio)-3-nitrobenzaldehyde O-(2,4-dichlorobenzyl) oxime (CAS 303996-23-8)
- (E)-4-(benzylthio)-3-nitrobenzaldehyde O-(2,6-dichlorobenzyl) oxime (CAS 303996-25-0)
- 2-(Benzylthio)-4-(2-chlorophenyl)-6-(4-chlorophenyl)nicotinonitrile (CAS 332177-30-7)
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- 2-(Benzylthio)-4-((3-(trifluoromethyl)benzyl)thio)thieno[3,2-d]pyrimidine (CAS 478067-44-6)
- 2-(Benzylthio)-3-(2,4-dichloro-5-methoxyphenyl)quinazolin-4(3H)-one (CAS 338967-92-3)
Recommended Standards
- Methyl 6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[(E)-[(dimethylamino)methylidene]amino]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate (CAS 321430-39-1)
- Methyl 2-(4-chlorobenzamido)-5-((2-fluorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 335409-23-9)
- 5-(5-Chloro-2-methoxybenzenesulfonyl)-8-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline (CAS 861207-45-6)
- Methyl 5-((3-chlorophenyl)carbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate (CAS 335409-80-8)
- 2,5-Dibromo-3,6-dimethylpyridine (CAS 38749-93-8)
- 2-((2R,3R)-4-(Anthracen-9-yl)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)pyridine (CAS 1542796-14-4)
- 1-(3,5-Dimethyl-1H-pyrazol-4-yl)-N-methylethan-1-amine (CAS 1035104-75-6)
- 4,5-Dichloro-6-nitro-2,3-dihydropyridazin-3-one (CAS 13645-43-7)
- 4-Bromo-1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-amine (CAS 1210378-97-4)
- 3-(Isocyanatomethyl)pentane (CAS 947612-23-9)
- n-(3-Chlorobenzyl)-1-(1-ethylpyrrolidin-2-yl)methanamine (CAS 932246-61-2)
- 2-Bromo-6-[4-(hydroxymethyl)piperidino]benzonitrile (CAS 1260757-37-6)
- 1-(1-Methyl-1h-imidazol-2-yl)azetidin-3-ol (CAS 1343710-95-1)
- Semaglutide impurity 59 (CAS CATO-C4X-222659)
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