6-(tert-Butyl)-3-iodo-1H-indazole CAS 1167056-24-7
| CAS No. | 1167056-24-7 |
| Molecular Formula | C11H13IN2 |
| Molecular Weight | 300.14 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.
6-(tert-Butyl)-3-iodo-1H-indazole (CAS 1167056-24-7), molecular formula C11H13IN2 and molecular weight 300.14 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, iodine substitution, 6-(tert-Butyl)-3-iodo-1H-indazole is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 300.14 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.
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 | C11H13IN2 |
| Molecular Weight | 300.14 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
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