4-Chloro-3,3-dimethyl-3-fluorobutyrophenone CAS 898764-64-2
| CAS No. | 898764-64-2 |
| Molecular Formula | C12H14ClFO |
| Molecular Weight | 228.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Chloro-3,3-dimethyl-3-fluorobutyrophenone (CAS 898764-64-2) is a high-purity analytical reference standard with the molecular formula C12H14ClFO and a molecular weight of 228.69 g/mol.
Owing to a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system, 4-Chloro-3,3-dimethyl-3-fluorobutyrophenone is typically off-white to pale yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 228.69 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
Physical & Chemical Properties
| Molecular Formula | C12H14ClFO |
| Molecular Weight | 228.69 g/mol |
| 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 |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
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