Hexachlorocyclopantadienyl-dibromocyclooctaneadienyl CAS 51936-55-1
| CAS No. | 51936-55-1 |
| Molecular Formula | C13H12Br2Cl6 |
| Molecular Weight | 540.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Hexachlorocyclopantadienyl-dibromocyclooctaneadienyl is closely related to chlorine/bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Hexachlorocyclopantadienyl-dibromocyclooctaneadienyl (CAS 51936-55-1), molecular formula C13H12Br2Cl6 and molecular weight 540.76 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to chlorine/bromine substitution, an aromatic ring system, Hexachlorocyclopantadienyl-dibromocyclooctaneadienyl is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 540.76 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C13H12Br2Cl6 |
| Molecular Weight | 540.76 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 100μg/mL in Toluene |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1971 |
| Halogen Content | Cl/Br-containing |
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