3-{1-Nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one CAS 320420-40-4
| CAS No. | 320420-40-4 |
| Molecular Formula | C17H11F3N2O5 |
| Molecular Weight | 380.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-{1-Nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-{1-Nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one (CAS 320420-40-4), molecular formula C17H11F3N2O5 and molecular weight 380.27 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-{1-Nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one (C17H11F3N2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 380.27 g/mol, it falls into the moderately-high-molecular-weight range. 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.
As a certified reference material (CRM), 3-{1-Nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C17H11F3N2O5 |
| Molecular Weight | 380.27 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 3-Amino-1-(piperazin-1-yl)propan-1-one (CAS 691394-08-8)
- 3-[(2-ethoxyethoxy)methyl]-2-methylaniline (CAS 1157089-61-6)
- 6-Iodo-1-methyl-1H-indazole (CAS 1214899-83-8)
- 3-(1-Methyl-1h-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine (CAS 1153983-46-0)
- Pyridin-3-ylmethyl nicotinate (CAS 49673-77-0)
- 2-(3-(Pyridin-2-yl)-1H-pyrazol-1-yl)acetonitrile (CAS 262449-14-9)
- Methyl 4H-thieno[3,2-b]pyrrole-2-carboxylate (CAS 749261-96-9)
- 2'-Methoxy-[3,3'-bipyridin]-6-amine (CAS 1196152-56-3)
- Tetrapeptide-3 (CAS 827306-97-8)
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