6-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-((pyridin-2-ylmethyl)thio)-4-(trifluoromethyl)nicotinonitrile CAS 625376-83-2
| CAS No. | 625376-83-2 |
| Molecular Formula | C21H14F3N3O2S |
| Molecular Weight | 429.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-((pyridin-2-ylmethyl)thio)-4-(trifluoromethyl)nicotinonitrile is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 6-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-((pyridin-2-ylmethyl)thio)-4-(trifluoromethyl)nicotinonitrile (CAS 625376-83-2), a certified reference material (molecular formula C21H14F3N3O2S, MW 429.41 g/mol) for analytical method development and quality control.
6-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-((pyridin-2-ylmethyl)thio)-4-(trifluoromethyl)nicotinonitrile (C21H14F3N3O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C21H14F3N3O2S |
| Molecular Weight | 429.41 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Dihydrobenzo Standards
- 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethan-1-one (CAS 556055-08-4)
- 2-(((1-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)piperidin-4-yl)methyl)thio)-4-methylthiazole (CAS 1428356-69-7)
- 2-(5-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)isoxazol-3-yl)-N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)acetamide (CAS 1171842-27-5)
- 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-(1-(3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl)cyclohexyl)urea (CAS 1396679-82-5)
- 7-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione (CAS 625376-54-7)
- N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide (CAS 868969-87-3)
- 7-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-hydroxy-9-(trifluoromethyl)thieno[2,3-b:4,5-b']dipyridin-2(1H)-one (CAS 626228-56-6)
- 2-(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl 2-(methylthio)nicotinate (CAS 744230-94-2)
Recommended Standards
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