1-Oxo-2-(4-(trifluoromethyl)phenyl)-1,2-dihydroisoquinoline-4-carboxylic acid CAS 133096-33-0
| CAS No. | 133096-33-0 |
| Molecular Formula | C17H10F3NO3 |
| Molecular Weight | 333.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-Oxo-2-(4-(trifluoromethyl)phenyl)-1,2-dihydroisoquinoline-4-carboxylic acid (CAS 133096-33-0) is a high-purity analytical reference standard with the molecular formula C17H10F3NO3 and a molecular weight of 333.26 g/mol.
Based on its molecular formula C17H10F3NO3, 1-Oxo-2-(4-(trifluoromethyl)phenyl)-1,2-dihydroisoquinoline-4-carboxylic acid contains a steroid core, 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 333.26 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), 1-Oxo-2-(4-(trifluoromethyl)phenyl)-1,2-dihydroisoquinoline-4-carboxylic acid 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 | C17H10F3NO3 |
| Molecular Weight | 333.26 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Oxo Standards
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Recommended Standards
- 2,4-D isooctyl ester (CAS 25168-26-7)
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- 2,4-D 2-Ethylhexyl Ester (CAS 1928-43-4)
- 3-Chloro-5-((((3-chloro-1,2,4-thiadiazol-5-yl)sulfinyl)methyl)thio)-1,2,4-thiadiazole (CAS 135379-15-6)
- 8-Chloro-4-hydroxy-5-(trifluoromethyl)quinoline-3-carboxylic acid (CAS 641993-18-2)
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