3-((2-Chloro-6-fluorobenzyl)thio)-5-propyl-4H-1,2,4-triazol-4-amine CAS 459210-10-7
| CAS No. | 459210-10-7 |
| Molecular Formula | C12H14ClFN4S |
| Molecular Weight | 300.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-((2-Chloro-6-fluorobenzyl)thio)-5-propyl-4H-1,2,4-triazol-4-amine (CAS 459210-10-7), molecular formula C12H14ClFN4S and molecular weight 300.78 g/mol, is a CATO reference standard with documented purity and traceability.
3-((2-Chloro-6-fluorobenzyl)thio)-5-propyl-4H-1,2,4-triazol-4-amine (C12H14ClFN4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C12H14ClFN4S |
| Molecular Weight | 300.78 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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- 1-(2-((2-Chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)propan-1-one (CAS 851802-65-8)
- 1-(2-Chloro-5,7-dimethylquinolin-3-yl)-N-(furan-2-ylmethyl)methanamine (CAS 917748-06-2)
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Recommended Standards
- 3-Chloro-N-(4-(pyrrolidin-1-yl)phenyl)benzamide (CAS 251097-20-8)
- 3-Chloro-N-(9-ethyl-9H-carbazol-3-yl)propanamide (CAS 893725-95-6)
- 2,3,4,5,6,6-Hexachlorocyclohexa-2,4-dienone (CAS 21306-21-8)
- 3-Chloropropanoic acid 6-(4-hydroxyphenoxy)hexyl ester (CAS 2087904-32-1)
- 4-(Tert-butoxy)-3-iodoaniline (CAS 1369859-87-9)
- 6-(chloromethyl)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran (CAS 877977-41-8)
- 3-[(2-fluorophenyl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine (CAS 1159542-76-3)
- 3-methanesulfinyl-4H-1,2,4-triazole (CAS 1258639-46-1)
- (1S,2S)-2-phenylcyclohexan-1-amine (CAS 37982-29-9)
- N-allyl-2-nitroaniline (CAS 13347-27-8)
- 2,2'-Sulfinyldipyridine (CAS 92686-20-9)
- 1-(2,2,2-Trifluoroethyl)-2,5-dihydro-1h-pyrrole-2,5-dione (CAS 771-52-8)
- Riboflavin Impurity N17 (CAS 21037-25-2)
- Peptide-GMF (CAS CATO-CPTD788469)
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