2-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate CAS 219539-67-0
| CAS No. | 219539-67-0 |
| Molecular Formula | C14H6ClF3N2O6 |
| Molecular Weight | 390.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate (CAS 219539-67-0) is a high-purity analytical reference standard with the molecular formula C14H6ClF3N2O6 and a molecular weight of 390.66 g/mol.
2-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate (C14H6ClF3N2O6) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C14H6ClF3N2O6 |
| Molecular Weight | 390.66 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2019 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 3-Des(allylthio)methyl-3-bromomethyl Althiazide (CAS 7181-60-4)
- 6-Bromo-2-(4-ethoxyphenyl)quinoline-4-carbonyl chloride (CAS 1160253-15-5)
- Lifitegrast Impurity 64 (CAS 2832127-60-1)
- 3-Fluoro-4-(pyridin-3-yl)aniline (CAS 1214357-04-6)
- 1-Benzyl-3-(chloromethyl)pyrrolidine hydrochloride (CAS 1211431-48-9)
- N,N-Dimethylphenazin-2-amine (CAS 6494-69-5)
- 5-(Trifluoromethyl)spiro[indoline-2,4'-piperidin]-3-one (CAS 2752430-60-5)
- [1-(3,5-Dichlorophenyl)propyl](methyl)amine (CAS 1603090-14-7)
- methyl 1-methyl-1H-pyrazolo[3,4-c]pyridine-3-carboxylate (CAS 2107524-21-8)
- 1,4-Dibromo-2,5-difluoro-3-(trifluoromethoxy)benzene (CAS 1803836-28-3)
- Piperidin-4-yl 4-methylpiperazine-1-carboxylate (CAS 1192122-37-4)
- Agomelatine Impurity 2 (CAS 185421-27-6)
- Exenatide (CAS 141758-74-9)
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