1H-Indole-3-butanoic acid, 2,6-dibromo- CAS 91571-17-4
| CAS No. | 91571-17-4 |
| Molecular Formula | C12H11Br2NO2 |
| Molecular Weight | 361.03 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1H-Indole-3-butanoic acid, 2,6-dibromo- (CAS 91571-17-4) is a high-purity analytical reference standard with the molecular formula C12H11Br2NO2 and a molecular weight of 361.03 g/mol.
Structurally, 1H-Indole-3-butanoic acid, 2,6-dibromo- (C12H11Br2NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 361.03 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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), 1H-Indole-3-butanoic acid, 2,6-dibromo- 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 | C12H11Br2NO2 |
| Molecular Weight | 361.03 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 |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1983 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related H Standards
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Recommended Standards
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