3-Bromo-5-fluoro-4-methoxybenzoic acid CAS 445019-47-6
| CAS No. | 445019-47-6 |
| Molecular Formula | C8H6BrFO3 |
| Molecular Weight | 249.03 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C8H6BrFO3, 3-Bromo-5-fluoro-4-methoxybenzoic acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 249.03 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
3-Bromo-5-fluoro-4-methoxybenzoic acid (CAS 445019-47-6) is a high-purity analytical reference standard with the molecular formula C8H6BrFO3 and a molecular weight of 249.03 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C8H6BrFO3 |
| Molecular Weight | 249.03 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; 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.) | 2025 |
| Halogen Content | F/Br-containing |
Related Bromo Standards
- 2-Bromo-4-fluoro-5-methoxybenzoic acid (CAS 1007455-21-1)
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Recommended Standards
- 2-Bromo-5-fluoro-4-methoxybenzoic acid (CAS 64695-99-4)
- 4-Bromo-1-ethynyl-2-(trifluoromethyl)benzene (CAS 2244085-78-5)
- 2-Bromo-1-ethynyl-4-(trifluoromethyl)benzene (CAS 871126-88-4)
- 5-Bromo-2-fluoro-4-methoxybenzoic acid (CAS 949014-42-0)
- 3-(5,6-Dihydro-4h-cyclopenta[b]thiophen-2-yl)-1-methyl-1h-pyrazol-5-amine (CAS 1152649-44-9)
- Pirozadil (CAS 54110-25-7)
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- C-Peptide 1 (rat) (CAS 41475-27-8)
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