2-(2-Nitro-4-(trifluoromethyl)phenyl)acetonitrile CAS 13544-06-4
| CAS No. | 13544-06-4 |
| Molecular Formula | C9H5F3N2O2 |
| Molecular Weight | 230.14 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 2-(2-Nitro-4-(trifluoromethyl)phenyl)acetonitrile (CAS 13544-06-4), a certified reference material (molecular formula C9H5F3N2O2, MW 230.14 g/mol) for analytical method development and quality control.
Based on its molecular formula C9H5F3N2O2, 2-(2-Nitro-4-(trifluoromethyl)phenyl)acetonitrile 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 230.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C9H5F3N2O2 |
| Molecular Weight | 230.14 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 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1960 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Nitro Standards
- 4-Nitro-2-(trifluoromethyl)-1H-indole (CAS 1000604-20-5)
- 2-(2-Nitro-6-(trifluoromethyl)phenyl)acetonitrile (CAS 105003-99-4)
- 2-(4-Nitro-2-(trifluoromethyl)phenyl)acetonitrile (CAS 1067192-61-3)
- 5-Nitro-6-(trifluoromethyl)-1H-indole (CAS 1186405-05-9)
- 6-Nitro-5-(trifluoromethyl)-1H-indole (CAS 1236060-61-9)
- 4-Nitro-6-(trifluoromethyl)-1H-indole (CAS 1360883-24-4)
- 6-Nitro-2-(trifluoromethyl)-1H-indole (CAS 1388183-76-3)
- 5-Nitro-2-(trifluoromethyl)-1h-indole (CAS 174734-30-6)
Recommended Standards
- 5-methoxy-1-methyl-1H-pyrazole (CAS 1350323-88-4)
- 5-(Trifluoromethyl)-1H-benzo[d]imidazole-7-carboxylic acid (CAS 1357582-12-7)
- 5-[3-(Trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (CAS 1334627-21-2)
- 4-(Trifluoromethyl)benzofuran-2-carboxylic acid (CAS 1286744-16-8)
- 1-(2-Bromo-4-(trifluoromethyl)phenyl)-4-methylpiperazine (CAS 1704069-00-0)
- N-[(Z)-2-[4-(4-Chlorophenyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitroethenyl]-4-methoxyaniline (CAS 400079-83-6)
- 4-AMino-2-chloro-3-methylpyridin-1-ium-1-olate (CAS 1373233-00-1)
- Ethyl 4-chloro-2-(trifluoromethyl)quinoline-3-carboxylate (CAS 1260877-33-5)
- 8-Aminoquinoline-5,6-dione (CAS 49797-49-1)
- 5,6-Bis(3,4-dichlorophenyl)-2-(2-hydroxyethyl)-3-oxo-2,3-dihydropyridazine-4-carbonitrile (CAS 75660-46-7)
- Ethyl 3,5-difluoro-4-methylphenylacetate (CAS 1806415-74-6)
- 4-Oxothiochroman-7-yl trifluoromethanesulfonate (CAS 2768536-01-0)
- 2-((2,5-Dichlorobenzyl)(ethyl)amino)ethanol (CAS 1353975-37-7)
- Biotinyl-S6 Phosphate Acceptor Peptide trifluoroacetate salt (CAS 1815618-12-2)
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