1-Bromo-2-(2,6-difluoro-4-(trifluoromethyl)phenoxy)-5-fluoro-3-nitrobenzene CAS 2244085-96-7
| CAS No. | 2244085-96-7 |
| Molecular Formula | C13H4BrF6NO3 |
| Molecular Weight | 416.07 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.
1-Bromo-2-(2,6-difluoro-4-(trifluoromethyl)phenoxy)-5-fluoro-3-nitrobenzene (CAS 2244085-96-7), molecular formula C13H4BrF6NO3 and molecular weight 416.07 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-Bromo-2-(2,6-difluoro-4-(trifluoromethyl)phenoxy)-5-fluoro-3-nitrobenzene (C13H4BrF6NO3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H4BrF6NO3 |
| Molecular Weight | 416.07 g/mol |
| Appearance | Pale yellow to 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
- 2-(2-Bromo-4-fluoro-5-nitrophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene (CAS 2244083-57-4)
- 2-(2-Bromo-5-fluoro-4-nitrophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene (CAS 2244087-50-9)
- 2-(4-Bromo-5-fluoro-2-nitrophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene (CAS 2244083-59-6)
- 2-Bromo-3-(2,6-difluoro-4-(trifluoromethyl)phenoxy)-1-fluoro-4-nitrobenzene (CAS 2244088-76-2)
- 5-Bromo-1-(2,6-difluoro-4-(trifluoromethyl)phenoxy)-3-fluoro-2-nitrobenzene (CAS 2244083-99-4)
- 5-Bromo-2-(2,6-difluoro-4-(trifluoromethyl)phenoxy)-1-fluoro-3-nitrobenzene (CAS 2244088-48-8)
- 3-Bromo-4-((4-bromobenzyl)oxy)-5-methoxybenzoic acid (CAS 1153461-81-4)
- 2-Bromo-N-(2-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)benzamide (CAS 921530-66-7)
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