tert-Butyl 3,5-difluorobenzoate CAS 467442-11-1
| CAS No. | 467442-11-1 |
| Molecular Formula | C11H12F2O2 |
| Molecular Weight | 214.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 214.21 g/mol gives tert-Butyl 3,5-difluorobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
tert-Butyl 3,5-difluorobenzoate (CAS 467442-11-1) is a high-purity analytical reference standard with the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol.
Based on its molecular formula C11H12F2O2, tert-Butyl 3,5-difluorobenzoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 214.21 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C11H12F2O2 |
| Molecular Weight | 214.21 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| 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.) | 2025 |
| Halogen Content | F-containing |
Recommended Standards
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