1-(Difluoromethoxy)-2-nitro-4-(trifluoromethyl)benzene 1228898-52-9 2693AD C8H4F5NO3 CAS 1228898-52-9
| CAS No. | 1228898-52-9 |
| Molecular Formula | C8H4F5NO3 |
| Molecular Weight | 257.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 1-(Difluoromethoxy)-2-nitro-4-(trifluoromethyl)benzene 1228898-52-9 2693AD C8H4F5NO3 (CAS 1228898-52-9), a certified reference material (molecular formula C8H4F5NO3, MW 257.11 g/mol) for analytical method development and quality control.
Based on its molecular formula C8H4F5NO3, 1-(Difluoromethoxy)-2-nitro-4-(trifluoromethyl)benzene 1228898-52-9 2693AD C8H4F5NO3 contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 257.11 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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.
Physical & Chemical Properties
| Molecular Formula | C8H4F5NO3 |
| Molecular Weight | 257.11 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, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Difluoromethoxy Standards
- 4-(Difluoromethoxy)-1-nitro-2-(trifluoromethyl)benzene (CAS 1227561-43-4)
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- 3-Difluoromethoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid (CAS 1227582-84-4)
- 1227588-24-0 2559AD 4-(Difluoromethoxy)-2-nitro-1-(trifluoromethyl)benzene C8H4F5NO3 (CAS 1227588-24-0)
- 3-(2-(Difluoromethoxy)-5-nitrophenyl)propiolic acid (CAS 1403566-61-9)
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