tert-Butyl 5-bromo-3-iodo-1H-indazole-1-carboxylate CAS 459133-68-7
| CAS No. | 459133-68-7 |
| Molecular Formula | C12H12BrIN2O2 |
| Molecular Weight | 423.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 423.04 g/mol gives tert-Butyl 5-bromo-3-iodo-1H-indazole-1-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
tert-Butyl 5-bromo-3-iodo-1H-indazole-1-carboxylate (CAS 459133-68-7) is a high-purity analytical reference standard with the molecular formula C12H12BrIN2O2 and a molecular weight of 423.04 g/mol.
The molecular framework of tert-Butyl 5-bromo-3-iodo-1H-indazole-1-carboxylate (C12H12BrIN2O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine/iodine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
As a certified reference material (CRM), tert-Butyl 5-bromo-3-iodo-1H-indazole-1-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H12BrIN2O2 |
| Molecular Weight | 423.04 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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.) | 2025 |
| Halogen Content | Br/I-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- Tert-butyl 6-bromo-2-iodo-1H-pyrrolo[3,2-c]pyridine-1-carboxylate (CAS 1638759-91-7)
- tert-Butyl 5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate (CAS 928653-81-0)
- tert-Butyl 4-bromo-3-iodo-indazole-1-carboxylate (CAS 1448699-27-1)
- 4-(3,5-Dibromo-2-hydroxybenzylidene)-2-phenyloxazol-5(4H)-one (CAS 113425-80-2)
- 4-(Pyridin-3-ylmethyl)benzonitrile (CAS 112809-49-1)
- tert-Butyl 2,5-difluoro-4-hydroxybenzoate (CAS 1252900-77-8)
- N-(4-(N-(1H-indazol-4-yl)sulfamoyl)phenyl)acetamide (CAS 860650-78-8)
- 1-(5-Chloro-1,3-dimethyl-1h-pyrazol-4-yl)-N-(4-methylbenzyl)methanamine (CAS 1241234-97-8)
- 6-Fluoro-2-methyl-1-propyl-1H-indole-3-carbonitrile (CAS 922184-63-2)
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- 4,5-Dimethylthiazol-2-amine hydrobromide (CAS 7170-76-5)
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