| CAS No. | 691868-96-9 |
| Molecular Formula | C21H19F3N2S |
| Molecular Weight | 388.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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 supplies 1-(P-tolyl)-3-((3,4,4-trifluorobut-3-en-1-yl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 691868-96-9), a certified reference material (molecular formula C21H19F3N2S, MW 388.45 g/mol) for analytical method development and quality control.
The molecular framework of 1-(P-tolyl)-3-((3,4,4-trifluorobut-3-en-1-yl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (C21H19F3N2S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), 1-(P-tolyl)-3-((3,4,4-trifluorobut-3-en-1-yl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 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.
| Molecular Formula | C21H19F3N2S |
| Molecular Weight | 388.45 g/mol |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |