2-Nitro-4-(trifluoromethoxy)acetanilide CAS 787-57-5
| CAS No. | 787-57-5 |
| Molecular Formula | C9H7F3N2O4 |
| Molecular Weight | 264.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Nitro-4-(trifluoromethoxy)acetanilide (C9H7F3N2O4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
2-Nitro-4-(trifluoromethoxy)acetanilide (CAS 787-57-5), molecular formula C9H7F3N2O4 and molecular weight 264.16 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C9H7F3N2O4 |
| Molecular Weight | 264.16 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Nitro Standards
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- N-(4-Nitro-2-(trifluoromethoxy)phenyl)acetamide (CAS 1806498-28-1)
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- 2-Nitro-5-(pentafluoro-λ6-sulfanyl)aniline (CAS 1379803-65-2)
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- 3-Methyl-4-nitro-1-(4-nitrophenyl)-1h-pyrazol-5-ol (CAS 132-42-3)
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Recommended Standards
- 2,2,2-Trifluoroethyl n-(3-nitrophenyl)carbamate (CAS 403-99-6)
- 3-(6-bromo-4-methyl-2-pyridyl)tetrahydrofuran-3-ol (CAS 2368946-05-6)
- 2,2,2-Trifluoroethyl (4-nitrophenyl)carbamate (CAS 405-59-4)
- 5-bromo-8-methoxy-quinazolin-2-amine (CAS 853792-28-6)
- 2-(Furan-2-yl)-2-methyl-1,3-dioxolane (CAS 69536-36-3)
- 1-(4-CHloro-benzenesulfonyl)-pyrrolidine (CAS 74832-69-2)
- 1-Bromo-5-ethyl-2,4-dimethoxybenzene (CAS 19345-66-5)
- 4-Hexyloxyphenyl 4-nitrobenzoate (CAS 68162-10-7)
- 4,6-Bis(4-chloro-3-(trifluoromethyl)phenoxy)pyrimidin-2(1H)-one (CAS 329701-38-4)
- (E)-(4R,9AS)-7-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]-4-(3,4,5-trifluorophenyl)hexahydropyrido[2,1-c][1,4]oxazin-6-one (CAS 937812-80-1)
- (S)-Methyl 2-amino-3-((S)-2-oxopyrrolidin-3-yl)propanoate methanesulfonate (CAS 2755812-56-5)
- 1-(4-Bromophenyl)-4-fluorobutan-1-one (CAS 1662698-52-3)
- n-Isopropyl-4-phenoxybutanamide (CAS 303032-63-5)
- Vasonatrin Peptide (VNP) trifluoroacetate salt (CAS 141676-35-9)
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