| CAS No. | 313251-00-2 |
| Molecular Formula | C13H11Cl2N3O2S |
| Molecular Weight | 344.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
2-((4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazol-3-yl)thio)acetic acid (CAS 313251-00-2) is a high-purity analytical reference standard with the molecular formula C13H11Cl2N3O2S and a molecular weight of 344.22 g/mol.
2-((4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazol-3-yl)thio)acetic acid (C13H11Cl2N3O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
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.
| Molecular Formula | C13H11Cl2N3O2S |
| Molecular Weight | 344.22 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |