(6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate CAS 791598-65-7
| CAS No. | 791598-65-7 |
| Molecular Formula | C22H18FNO4S |
| Molecular Weight | 411.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate (CAS 791598-65-7), molecular formula C22H18FNO4S and molecular weight 411.45 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate (C22H18FNO4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 411.45 g/mol, it falls into the moderately-high-molecular-weight range. 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.
CATO manufactures (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate 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 | C22H18FNO4S |
| Molecular Weight | 411.45 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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