| CAS No. | 40274-29-1 |
| Molecular Formula | C9H6BrF |
| Molecular Weight | 213.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 213.05 g/mol gives 1-(3-Bromoprop-1-yn-1-yl)-4-fluorobenzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 1-(3-Bromoprop-1-yn-1-yl)-4-fluorobenzene (CAS 40274-29-1), a certified reference material (molecular formula C9H6BrF, MW 213.05 g/mol) for analytical method development and quality control.
The molecular framework of 1-(3-Bromoprop-1-yn-1-yl)-4-fluorobenzene (C9H6BrF) is characterized by fluorine/bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
| Molecular Formula | C9H6BrF |
| Molecular Weight | 213.05 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | F/Br-containing |