| CAS No. | 672951-89-2 |
| Molecular Formula | C12H7ClF6N4S |
| Molecular Weight | 388.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 388.72 g/mol gives 3-Chloro-2-(3-((3,4,4-trifluorobut-3-en-1-yl)thio)-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-Chloro-2-(3-((3,4,4-trifluorobut-3-en-1-yl)thio)-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine (CAS 672951-89-2), molecular formula C12H7ClF6N4S and molecular weight 388.72 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, 3-Chloro-2-(3-((3,4,4-trifluorobut-3-en-1-yl)thio)-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 388.72 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C12H7ClF6N4S |
| Molecular Weight | 388.72 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) | 8.0 |
| 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 |