Methyl 3,5-dibromo-4-fluorophenylacetate CAS 1806346-00-8
| CAS No. | 1806346-00-8 |
| Molecular Formula | C9H7Br2FO2 |
| Molecular Weight | 325.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 3,5-dibromo-4-fluorophenylacetate (CAS 1806346-00-8), molecular formula C9H7Br2FO2 and molecular weight 325.96 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H7Br2FO2, Methyl 3,5-dibromo-4-fluorophenylacetate 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 325.96 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).
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 | C9H7Br2FO2 |
| Molecular Weight | 325.96 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature |
| 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.) | 1995 |
| Halogen Content | F/Br-containing |
Related Methyl Standards
- Ethyl 3,4-dibromo-5-fluorobenzoate (CAS 1160574-69-5)
- 4,6-Dibromo-3-fluoro-2-methyl-benzoic acid methylester (CAS 119916-08-4)
- Ethyl 3,6-dibromo-2-fluorobenzoate (CAS 1214347-22-4)
- 2,6-Dibromo-4-fluorobenzyl Acetate (CAS 1346674-62-1)
- Ethyl 2,5-dibromo-4-fluorobenzoate (CAS 1379366-93-4)
- Ethyl 3,4-dibromo-2-fluorobenzoate (CAS 1803776-91-1)
- Methyl 2,6-dibromo-3-fluorophenylacetate (CAS 1803778-95-1)
- Methyl 2,5-dibromo-3-fluorophenylacetate (CAS 1803785-34-3)
Recommended Standards
- Methyl 3,6-dibromo-2-fluorophenylacetate (CAS 1806328-66-4)
- Methyl 4,5-dibromo-2-fluorophenylacetate (CAS 1806346-03-1)
- Methyl 2,3-dibromo-6-fluorophenylacetate (CAS 1806328-61-9)
- Methyl 2,3-dibromo-5-fluorophenylacetate (CAS 1807034-09-8)
- 1, 6- Di(methyl- d (CAS 13720-09-7)
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- Methotrexate Impurity 82 (CAS CATO-C4X-115482)
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