3-(Trifluoromethyl)dibenzo[b,e]oxepin-11(6H)-one CAS 4504-94-3
| CAS No. | 4504-94-3 |
| Molecular Formula | C15H9F3O2 |
| Molecular Weight | 278.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(Trifluoromethyl)dibenzo[b,e]oxepin-11(6H)-one is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-(Trifluoromethyl)dibenzo[b,e]oxepin-11(6H)-one (CAS 4504-94-3) is a high-purity analytical reference standard with the molecular formula C15H9F3O2 and a molecular weight of 278.23 g/mol.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system, 3-(Trifluoromethyl)dibenzo[b,e]oxepin-11(6H)-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 278.23 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
As a certified reference material (CRM), 3-(Trifluoromethyl)dibenzo[b,e]oxepin-11(6H)-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 | C15H9F3O2 |
| Molecular Weight | 278.23 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 tightly closed to prevent evaporation |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | F-containing |
Related Trifluoromethyl Standards
- 1-(4-(Trifluoromethyl)phenyl)-1,3-dihydro-2H-benzo[d]imidazol-2-one (CAS 1042308-21-3)
- 4-((2-(Trifluoromethyl)benzyl)oxy)picolinonitrile (CAS 1219454-17-7)
- 3-(5-(Trifluoromethyl)pyridin-3-yl)-1H-indazol-5-amine (CAS 1356088-08-8)
- 4-(6-(Trifluoromethyl)-1H-benzo[d]imidazol-2-yl)phenol (CAS 156144-38-6)
- 1-(3-(Trifluoromethyl)phenyl)-1,2-dihydro-3H-indazol-3-one (CAS 21486-29-3)
- 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(1H-imidazole) (CAS 2110472-44-9)
- 11-Methyl-3-(trifluoromethyl)benzo[b]pyrido[2,3-f][1,4]oxazepine (CAS 865657-92-7)
- 1-Phenyl-2-(3-(trifluoromethyl)phenyl)ethane-1,2-dione (CAS 40103-85-3)
Recommended Standards
- 2-Methoxy-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CAS 478245-73-7)
- 3-Methyl-6-phenyl-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine (CAS 380419-66-9)
- 2-Bromo-N-decylacetamide (CAS 5345-68-6)
- 6-Methyl-2-phenoxy-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 478049-74-0)
- 3-Bromo-4-cyclopropoxy-2-methoxypyridine (CAS 1243466-13-8)
- Pyrazine-2,3-dicarbonyl dichloride (CAS 52304-61-7)
- 5-Amino-2-(phenylamino)benzenesulfonic acid (CAS 91-30-5)
- Naphtho[1,2-b]furan (CAS 234-03-7)
- (4Z)-4-(2-Amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-pyrrolo[2,3-c]azepin-8(1H)-one Methanoate (Z)-Hymenialdisine Methanoate 84094-94-0 Hymenialdisine Methanoate (CAS 84094-94-0)
- N,N-dimethyl-3-(methylamino)benzenesulfonamide (CAS 86317-09-1)
- 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester (CAS 1048976-83-5)
- 3-Cyclopropoxy-4-(trifluoromethyl)benzonitrile (CAS 1243403-27-1)
- Methyl 5-bromo-2-fluoro-3-iodobenzoate (CAS 1510575-52-6)
- Insulin Degludec impurity 4 (CAS CATO-C4X-21574)
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