4-(3-Methoxy-3-methylbutoxy)-3-(trifluoromethyl)aniline CAS 879047-86-6
| CAS No. | 879047-86-6 |
| Molecular Formula | C13H18F3NO2 |
| Molecular Weight | 277.28 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 4-(3-Methoxy-3-methylbutoxy)-3-(trifluoromethyl)aniline (CAS 879047-86-6), a certified reference material (molecular formula C13H18F3NO2, MW 277.28 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 4-(3-Methoxy-3-methylbutoxy)-3-(trifluoromethyl)aniline is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 277.28 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
Physical & Chemical Properties
| Molecular Formula | C13H18F3NO2 |
| Molecular Weight | 277.28 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 tightly closed to prevent evaporation |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 1-(1-(3-(Trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)propan-2-one (CAS 1346809-34-4)
- Methyl 6-fluoro-2-hydroxy-3-nitrobenzoate (CAS 1823843-73-7)
- Ethylammonium tetrafluoroborate (CAS 12070-78-9)
- 2,4-Dichloro-6-(((1-hydroxypropan-2-yl)amino)methyl)phenol (CAS 1153902-71-6)
- 4-Bromo-1,1-difluoro-3-methylbutane (CAS 1783578-17-5)
- 1-(3-Bromophenyl)-3,3-dimethylpyrrolidine-2,5-dione (CAS 1334675-30-7)
- 2-Oxo-2,3-dihydro-1,3-thiazole-5-sulfonyl chloride (CAS 930396-12-6)
- Insulin Degludec Impurity 12 (CAS CATO-C4X-215712)
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