5-(4-(Trifluoromethyl)phenoxy)isobenzofuran-1,3-dione CAS 122590-12-9
| CAS No. | 122590-12-9 |
| Molecular Formula | C15H7F3O4 |
| Molecular Weight | 308.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 308.21 g/mol gives 5-(4-(Trifluoromethyl)phenoxy)isobenzofuran-1,3-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-(4-(Trifluoromethyl)phenoxy)isobenzofuran-1,3-dione (CAS 122590-12-9), molecular formula C15H7F3O4 and molecular weight 308.21 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C15H7F3O4, 5-(4-(Trifluoromethyl)phenoxy)isobenzofuran-1,3-dione contains a flavonoid core, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 308.21 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.
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 | C15H7F3O4 |
| Molecular Weight | 308.21 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1992 |
| Halogen Content | F-containing |
Related Trifluoromethyl Standards
- 1,1-Bis(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CAS 1980053-97-1)
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- 2,6-Bis(trifluoromethyl)quinoline-4-carboxamide, 97% (CAS 1185292-83-4)
- 5-(3,5-Bis(trifluoromethyl)phenyl)furan-2-carbaldehyde (CAS 256658-04-5)
- 5-(Trifluoromethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]-1,2-dihydropyridin-2-one (CAS 372174-01-1)
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Recommended Standards
- N,N-bis((6-chloropyridin-3-yl)methyl)cyclopropanamine (CAS 1146080-51-4)
- 6'-Bromo-4-methoxyspiro[cyclohexane-1,2'-inden]-1'(3'H)-imine (CAS 1383985-58-7)
- 3-Bromo-2-methyl-1-(1,2,5-trimethyl-1H-indol-3-yl)propan-1-one (CAS 1134334-69-2)
- (1R,4r)-6'-bromo-4-methoxyspiro[cyclohexane-1,2'-inden]-1'(3'H)-imine (CAS 1383986-30-8)
- 5-Isopropyl-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (CAS 1708251-18-6)
- Oclacitinib Maleate (CAS 1208319-27-0)
- 1-(Piperidin-3-yl)-1H-1,2,3-triazole-4-carboxamide (CAS 1707399-33-4)
- 2,6-Difluoro-4-((hydroxyimino)methyl)benzonitrile (CAS 2416376-31-1)
- 7-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid (CAS 1189107-54-7)
- 4-Methoxybicyclo[2.2.2]Octan-1-amine (CAS 135908-32-6)
- Azathioprine Impurity 15 (CAS 90947-51-6)
- Cyanazine (CAS 21725-46-2)
- 2-Chloro-5-ethyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one (CAS 129872-85-1)
- Semaglutide Impurity 184 (CAS CATO-C4X-2226184)
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