(2Z)-2-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]-2,3-dihydro-1H-inden-1-one CAS 497060-08-9
| CAS No. | 497060-08-9 |
| Molecular Formula | C22H13ClF3NO2 |
| Molecular Weight | 415.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (2Z)-2-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]-2,3-dihydro-1H-inden-1-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(2Z)-2-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]-2,3-dihydro-1H-inden-1-one (CAS 497060-08-9) is a high-purity analytical reference standard with the molecular formula C22H13ClF3NO2 and a molecular weight of 415.79 g/mol.
Based on its molecular formula C22H13ClF3NO2, (2Z)-2-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]-2,3-dihydro-1H-inden-1-one contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 415.79 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C22H13ClF3NO2 |
| Molecular Weight | 415.79 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 2,5-Dichloro-4,6-diiodopyridin-3-ol (CAS 1261365-34-7)
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- 4-Bromo-5-(2-methylpropoxy)benzene-1,2-diamine (CAS 1373232-96-2)
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- 1-(5-(Tert-butyl)-2-hydroxyphenyl)-2-methylpropan-1-one (CAS 75060-54-7)
- Dimethyl(4-methylphenyl)phosphine oxide (CAS 53888-89-4)
- 3-{4-[(difluoromethyl)sulfanyl]phenyl}-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 380427-12-3)
- Landiolol Impurity 123 (CAS CATO-C4X-2621123)
- 1-(2-Bromoethyl)-4-ethylbenzene (CAS 259818-85-4)
- Semaglutide impurity 235 (CAS CATO-C4X-2226235)
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