(S)-3-(5-Oxo-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinolin-4-yl)benzonitrile CAS 172649-40-0
| CAS No. | 172649-40-0 |
| Molecular Formula | C17H13F3N2O |
| Molecular Weight | 318.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(S)-3-(5-Oxo-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinolin-4-yl)benzonitrile (C17H13F3N2O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
(S)-3-(5-Oxo-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinolin-4-yl)benzonitrile (CAS 172649-40-0), molecular formula C17H13F3N2O and molecular weight 318.29 g/mol, is a CATO reference standard with documented purity and traceability.
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.
CATO manufactures (S)-3-(5-Oxo-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinolin-4-yl)benzonitrile 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.
Physical & Chemical Properties
| Molecular Formula | C17H13F3N2O |
| Molecular Weight | 318.29 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 |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2006 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- tert-Butyl 3-hydroxy-3-[3-(trifluoromethyl)pyridin-2-yl]azetidine-1-carboxylate (CAS 1609672-02-7)
- tert-Butyl N-({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)carbamate (CAS 179683-40-0)
- (8S)-1,6,7,8-Tetrahydro-2-[(3R)-3-methyl-4-morpholinyl]-8-(trifluoromethyl)-4H-pyrimido[1,2-a]pyrimidin-4-one (CAS 1523412-59-0)
- (S)-4-(tert-Butoxy)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (CAS 1956437-58-3)
- 9H-fluoren-9-ylmethyl n-(diethoxyphosphorylmethyl)carbamate (CAS 195306-55-9)
- N-Ethyl-2-(hydroxymethyl)butanamide (CAS 6972-42-5)
- FPR A14 (CAS 329691-12-5)
- 3-(Acridin-9-yl)propanoic acid (CAS 88326-05-0)
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Why CATO?
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