Methyl 5-bromo-2-fluoro-3-methylbenzoate CAS 1538333-27-5
| CAS No. | 1538333-27-5 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 247.06 g/mol gives Methyl 5-bromo-2-fluoro-3-methylbenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 5-bromo-2-fluoro-3-methylbenzoate (CAS 1538333-27-5), molecular formula C9H8BrFO2 and molecular weight 247.06 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system, Methyl 5-bromo-2-fluoro-3-methylbenzoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 247.06 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures Methyl 5-bromo-2-fluoro-3-methylbenzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
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.) | 1992 |
| Halogen Content | F/Br-containing |
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Recommended Standards
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- 1-Chloro-1-phenyl-propan-2-one (CAS 4773-35-7)
- N-(4-(N-(1-(Propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)sulfamoyl)phenyl)butyramide (CAS 946301-21-9)
- 4-(4-Heptyloxybenzoyl)-2-methylpyridine (CAS 1187169-17-0)
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