3,4-Dibromo-5-nitrotertbutylbenzene CAS 57716-71-9
| CAS No. | 57716-71-9 |
| Molecular Formula | C10H11Br2NO2 |
| Molecular Weight | 337.01 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 3,4-Dibromo-5-nitrotertbutylbenzene (CAS 57716-71-9), a certified reference material (molecular formula C10H11Br2NO2, MW 337.01 g/mol) for analytical method development and quality control.
The molecular framework of 3,4-Dibromo-5-nitrotertbutylbenzene (C10H11Br2NO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine 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. 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.
Physical & Chemical Properties
| Molecular Formula | C10H11Br2NO2 |
| Molecular Weight | 337.01 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 2H-Pyrrole-2,2-dicarbaldehyde (CAS 67036-02-6)
- (1R,2S,4S)-rel-1,2,4-Trimethylcyclohexane (CAS 1678-80-4)
- n-((1h-Imidazol-2-yl)methyl)-2-methoxypyridin-3-amine (CAS 1248929-21-6)
- 3-Nitro-6-(1H-pyrazol-1-yl)pyridin-2-amine (CAS 934992-80-0)
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- Lithium diisopropylamide mono(tetrahydrofuran) complex solution (CAS 116912-61-9)
- 1-(4-Bromobenzyl)piperidine-2-carboxylic acid (CAS 1024026-28-5)
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