| CAS No. | 1076-36-4 |
| Molecular Formula | C9H5BrFN |
| Molecular Weight | 226.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
1-Bromo-3-fluoroisoquinoline (CAS 1076-36-4) is a high-purity analytical reference standard with the molecular formula C9H5BrFN and a molecular weight of 226.05 g/mol.
Based on its molecular formula C9H5BrFN, 1-Bromo-3-fluoroisoquinoline contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 226.05 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
As a certified reference material (CRM), 1-Bromo-3-fluoroisoquinoline 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.
| Molecular Formula | C9H5BrFN |
| Molecular Weight | 226.05 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, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| 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.) | 1957 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |