tert-Butyl 5,7-difluoro-3-iodo-1H-indazole-1-carboxylate CAS 944899-08-5
| CAS No. | 944899-08-5 |
| Molecular Formula | C12H11F2IN2O2 |
| Molecular Weight | 380.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl 5,7-difluoro-3-iodo-1H-indazole-1-carboxylate (CAS 944899-08-5) is a high-purity analytical reference standard with the molecular formula C12H11F2IN2O2 and a molecular weight of 380.13 g/mol.
tert-Butyl 5,7-difluoro-3-iodo-1H-indazole-1-carboxylate (C12H11F2IN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/iodine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C12H11F2IN2O2 |
| Molecular Weight | 380.13 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- tert-Butyl 5,6-difluoro-3-iodo-1H-indazole-1-carboxylate (CAS 944904-51-2)
- (2-(2-((4-Fluorobenzyl)oxy)-5-(trifluoromethyl)phenyl)cyclopent-1-en-1-yl)boronic acid (CAS 612833-84-8)
- tert-Butyl 4,6-difluoro-3-iodo-1H-indazole-1-carboxylate (CAS 944899-10-9)
- Methyl 3-iodo-5-((2-methoxyethyl)amino)-4-nitrobenzoate (CAS 2853616-33-6)
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