3-Bromo-4-fluoro-benzoic Acid Ethyl Ester CAS 23233-33-2
| CAS No. | 23233-33-2 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-Bromo-4-fluoro-benzoic Acid Ethyl Ester (CAS 23233-33-2), molecular formula C9H8BrFO2 and molecular weight 247.06 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Bromo-4-fluoro-benzoic Acid Ethyl Ester (C9H8BrFO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 247.06 g/mol, it falls into the medium-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.06 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1963 |
| Halogen Content | F/Br-containing |
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- 2-Acetamido-3,3,3-trifluoro-2-methylpropanoic acid (CAS 1533643-48-9)
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