Methyl 3-Bromo-6-cyano-2-methylbenzoate CAS 1805488-00-9
| CAS No. | 1805488-00-9 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 254.08 g/mol gives Methyl 3-Bromo-6-cyano-2-methylbenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 3-Bromo-6-cyano-2-methylbenzoate (CAS 1805488-00-9), molecular formula C10H8BrNO2 and molecular weight 254.08 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C10H8BrNO2, Methyl 3-Bromo-6-cyano-2-methylbenzoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 254.08 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
Physical & Chemical Properties
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.08 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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