| CAS No. | 5122-20-3 |
| Molecular Formula | C12H17I |
| Molecular Weight | 288.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 288.17 g/mol gives 5-tert-Butyl-2-iodo-1,3-dimethylbenzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-tert-Butyl-2-iodo-1,3-dimethylbenzene (CAS 5122-20-3) is a high-purity analytical reference standard with the molecular formula C12H17I and a molecular weight of 288.17 g/mol.
Based on its molecular formula C12H17I, 5-tert-Butyl-2-iodo-1,3-dimethylbenzene contains iodine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 288.17 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.
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.
| Molecular Formula | C12H17I |
| Molecular Weight | 288.17 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| 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.) | 1958 |
| Halogen Content | I-containing |