3-Chloro-2-(1-(4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)ethyl)-5-(trifluoromethyl)pyridine CAS 339010-64-9
| CAS No. | 339010-64-9 |
| Molecular Formula | C12H12ClF3N4S |
| Molecular Weight | 336.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Chloro-2-(1-(4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)ethyl)-5-(trifluoromethyl)pyridine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Chloro-2-(1-(4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)ethyl)-5-(trifluoromethyl)pyridine (CAS 339010-64-9) is a high-purity analytical reference standard with the molecular formula C12H12ClF3N4S and a molecular weight of 336.76 g/mol.
The molecular framework of 3-Chloro-2-(1-(4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)ethyl)-5-(trifluoromethyl)pyridine (C12H12ClF3N4S) 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 3-Chloro-2-(1-(4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)ethyl)-5-(trifluoromethyl)pyridine 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 | C12H12ClF3N4S |
| Molecular Weight | 336.76 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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- 5-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylidene)-1,3-diazinane-2,4,6-trione (CAS 866131-57-9)
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Recommended Standards
- (5-((4-Chlorobenzyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol (CAS 318469-47-5)
- Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(1-ethyl-1H-pyrazol-4-yl)-4H-pyran-3-carboxylate (CAS 1005611-67-5)
- 2,4,6-Tribromophenol-1,2,3,4,5,6- (CAS 1097192-97-6)
- 3-(4-Chlorophenyl)-3-(4-hydroxyphenyl)isobenzofuran-1(3H)-one (CAS 116143-36-3)
- (2,2-Difluoro-3-Methylenecyclopropyl)Acetic Acid (CAS 199176-95-9)
- 3-(2-Chloroethoxy)propanenitrile (CAS 1740-67-6)
- (4-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)boronic acid (CAS 1181556-97-7)
- 4,4''-Dimethyl-[1,1':4',1''-terphenyl]-2',5'-dicarboxylicacid (CAS 1352791-01-5)
- 2-(Nitroimino)-4,5-imidazolidinediol (CAS 20076-62-4)
- D-threo-1-(4-Aminophenyl)-2-dichloroacetylamino-1,3-propanediol Hydrochloride (CAS 57704-36-6)
- 543686-34-6 (3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-yl)-N-(4-(diethylamino)phenyl)formamide MFCD01567353 (CAS 543686-34-6)
- 2-Nitro-3-(trifluoromethyl)benzenesulphonyl chloride (CAS 1227587-93-0)
- Nicardipine Impurity 14 (CAS CATO-C4X-171014)
- Tirzepatide Impurity 16 (CAS CATO-C4X-324016)
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