2,4,6-Tris(bromofluoromethyl)-1,3,5-triazine CAS 402-94-8
| CAS No. | 402-94-8 |
| Molecular Formula | C6H3Br3F3N3 |
| Molecular Weight | 413.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2,4,6-Tris(bromofluoromethyl)-1,3,5-triazine (CAS 402-94-8), molecular formula C6H3Br3F3N3 and molecular weight 413.82 g/mol, is a CATO reference standard with documented purity and traceability.
2,4,6-Tris(bromofluoromethyl)-1,3,5-triazine (C6H3Br3F3N3) contains a nitrile group, fluorine/bromine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C6H3Br3F3N3 |
| Molecular Weight | 413.82 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
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