4,4,5,5-Tetramethyl-2-(2-(3-(trifluoromethyl)benzyl)benzo[b]thiophen-7-yl)-1,3,2-dioxaborolane CAS 1207970-76-0
| CAS No. | 1207970-76-0 |
| Molecular Formula | C22H22BF3O2S |
| Molecular Weight | 418.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4,4,5,5-Tetramethyl-2-(2-(3-(trifluoromethyl)benzyl)benzo[b]thiophen-7-yl)-1,3,2-dioxaborolane is closely related to a steroid core, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4,4,5,5-Tetramethyl-2-(2-(3-(trifluoromethyl)benzyl)benzo[b]thiophen-7-yl)-1,3,2-dioxaborolane (CAS 1207970-76-0) is a high-purity analytical reference standard with the molecular formula C22H22BF3O2S and a molecular weight of 418.28 g/mol.
4,4,5,5-Tetramethyl-2-(2-(3-(trifluoromethyl)benzyl)benzo[b]thiophen-7-yl)-1,3,2-dioxaborolane (C22H22BF3O2S) contains a steroid core, a sulfone 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, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
As a certified reference material (CRM), 4,4,5,5-Tetramethyl-2-(2-(3-(trifluoromethyl)benzyl)benzo[b]thiophen-7-yl)-1,3,2-dioxaborolane 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.
Physical & Chemical Properties
| Molecular Formula | C22H22BF3O2S |
| Molecular Weight | 418.28 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 10.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Tetramethyl Standards
- 5,5'-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2'-bithiophene (CAS 239075-02-6)
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- 2,8-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzo[b,d]furan (CAS 1197989-83-5)
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