Ethyl 6-bromo-3-cyano-2-(difluoromethyl)benzoate CAS 1805412-06-9
| CAS No. | 1805412-06-9 |
| Molecular Formula | C11H8BrF2NO2 |
| Molecular Weight | 304.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Ethyl 6-bromo-3-cyano-2-(difluoromethyl)benzoate.
CATO supplies Ethyl 6-bromo-3-cyano-2-(difluoromethyl)benzoate (CAS 1805412-06-9), a certified reference material (molecular formula C11H8BrF2NO2, MW 304.09 g/mol) for analytical method development and quality control.
Ethyl 6-bromo-3-cyano-2-(difluoromethyl)benzoate (C11H8BrF2NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C11H8BrF2NO2 |
| Molecular Weight | 304.09 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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 | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Ethyl Standards
- Ethyl 2-bromo-4-cyano-3-(difluoromethyl)benzoate (CAS 1804385-60-1)
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Recommended Standards
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- 4-(5-Bromofuran-2-carbonyl)morpholine-3-carboxylic acid (CAS 1497904-39-8)
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