| CAS No. | 54139-91-2 |
| Molecular Formula | C9H3BrClF3N2O |
| Molecular Weight | 327.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
As a certified reference material (CRM), 6-Bromo-7-chloro-2-(trifluoromethyl)quinazolin-4(3H)-one 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.
6-Bromo-7-chloro-2-(trifluoromethyl)quinazolin-4(3H)-one (CAS 54139-91-2), molecular formula C9H3BrClF3N2O and molecular weight 327.49 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-Bromo-7-chloro-2-(trifluoromethyl)quinazolin-4(3H)-one (C9H3BrClF3N2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 327.49 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
| Molecular Formula | C9H3BrClF3N2O |
| Molecular Weight | 327.49 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 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.) | 1972 |
| Halogen Content | F/Cl/Br-containing |
| Nitrogen Atoms | 2 |