4-Chloro-3-(2,6-dimethylphenyl)-3-fluoropropiophenone CAS 898754-96-6
| CAS No. | 898754-96-6 |
| Molecular Formula | C17H16ClFO |
| Molecular Weight | 290.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Chloro-3-(2,6-dimethylphenyl)-3-fluoropropiophenone (C17H16ClFO) contains a steroid core, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-Chloro-3-(2,6-dimethylphenyl)-3-fluoropropiophenone (CAS 898754-96-6), molecular formula C17H16ClFO and molecular weight 290.76 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C17H16ClFO |
| Molecular Weight | 290.76 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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 |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
Related Chloro Standards
- 1-(2-Chloro-4-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one (CAS 898793-16-3)
- 1-(2-Chloro-4-fluorophenyl)-3-(2,4-dimethylphenyl)propan-1-one (CAS 898794-38-2)
- 1-(2-Chloro-4-fluorophenyl)-3-(2,6-dimethylphenyl)propan-1-one (CAS 898755-12-9)
- 1-(3-Chloro-4-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one (CAS 898792-95-5)
- 1-(3-Chloro-4-fluorophenyl)-3-(2,4-dimethylphenyl)propan-1-one (CAS 898794-24-6)
- 1-(3-Chloro-4-fluorophenyl)-3-(3,5-dimethylphenyl)propan-1-one (CAS 898780-78-4)
- 1-(3-Chloro-5-fluorophenyl)-3-(2,4-dimethylphenyl)propan-1-one (CAS 898794-40-6)
- 1-(3-Chloro-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one (CAS 898753-92-9)
Recommended Standards
- 4-Chloro-3-(2,6-dimethylphenyl)-2-fluoropropiophenone (CAS 898755-16-3)
- 4-Chloro-3-(3,5-dimethylphenyl)-2-fluoropropiophenone (CAS 898780-96-6)
- 4-Chloro-3-(2,5-dimethylphenyl)-3-fluoropropiophenone (CAS 898753-69-0)
- 4-Chloro-3-(3,5-dimethylphenyl)-3-fluoropropiophenone (CAS 898780-76-2)
- [5-(4-Methoxyphenyl)-3-pyridyl]methanol (CAS 887974-21-2)
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