2,5-Di-tert-butyl-5,6-dichlorocyclohex-2-ene-1,4-dione CAS 33611-72-2
| CAS No. | 33611-72-2 |
| Molecular Formula | C14H20Cl2O2 |
| Molecular Weight | 291.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2,5-Di-tert-butyl-5,6-dichlorocyclohex-2-ene-1,4-dione (CAS 33611-72-2) is a high-purity analytical reference standard with the molecular formula C14H20Cl2O2 and a molecular weight of 291.21 g/mol.
Based on its molecular formula C14H20Cl2O2, 2,5-Di-tert-butyl-5,6-dichlorocyclohex-2-ene-1,4-dione contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 291.21 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C14H20Cl2O2 |
| Molecular Weight | 291.21 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1966 |
| Halogen Content | Cl-containing |
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