2,2,6,6-Tetrachlorocyclohexanone CAS 3776-30-5
| CAS No. | 3776-30-5 |
| Molecular Formula | C6H6Cl4O |
| Molecular Weight | 235.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2,2,6,6-Tetrachlorocyclohexanone is closely related to a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2,2,6,6-Tetrachlorocyclohexanone (CAS 3776-30-5) is a high-purity analytical reference standard with the molecular formula C6H6Cl4O and a molecular weight of 235.92 g/mol.
2,2,6,6-Tetrachlorocyclohexanone (C6H6Cl4O) contains a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point; 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.
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.
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 | C6H6Cl4O |
| Molecular Weight | 235.92 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Stable under recommended storage conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Cl-containing |
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