6-Oxo-2-(4-(3-(trifluoromethyl)phenoxy)phenyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile CAS 478081-40-2
| CAS No. | 478081-40-2 |
| Molecular Formula | C19H13F3N2O2 |
| Molecular Weight | 358.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO manufactures 6-Oxo-2-(4-(3-(trifluoromethyl)phenoxy)phenyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
6-Oxo-2-(4-(3-(trifluoromethyl)phenoxy)phenyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 478081-40-2), molecular formula C19H13F3N2O2 and molecular weight 358.31 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 6-Oxo-2-(4-(3-(trifluoromethyl)phenoxy)phenyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile (C19H13F3N2O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
Physical & Chemical Properties
| Molecular Formula | C19H13F3N2O2 |
| Molecular Weight | 358.31 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) | 13.0 |
| 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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- 2-[(3-Methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylene]malononitrile (CAS 398131-33-4)
- Ethyl 2-{3-oxo-1-[3-(trifluoromethyl)benzoyl]-2-piperazinyl}acetate (CAS 318469-59-9)
- (6-Bromo-3-methylpyridin-2-yl)methanamine (CAS 1417653-27-0)
- 1-(3-(3-(4-(Benzyloxy)phenoxy)propoxy)phenyl)ethan-1-one (CAS 937602-09-0)
- 2-(Azetidin-3-yl)-6-(trifluoromethyl)pyridine (CAS 1260828-71-4)
- tert-Butyl N-[1-(2-chlorophenyl)cyclobutyl]carbamate (CAS 1332765-96-4)
- 2-(4-Phenyl-2-(phenylamino)thiazol-5-yl)acetic acid (CAS 91234-01-4)
- 2-Thiomorpholinonicotinic acid (CAS 1042803-37-1)
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- Hydrocortisone Impurity 72 (CAS CATO-C4X-140172)
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