5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,2,2-trifluoroethyl)isoxazole CAS 2096998-31-9
| CAS No. | 2096998-31-9 |
| Molecular Formula | C11H15BF3NO3 |
| Molecular Weight | 277.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,2,2-trifluoroethyl)isoxazole.
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,2,2-trifluoroethyl)isoxazole (CAS 2096998-31-9) is a high-purity analytical reference standard with the molecular formula C11H15BF3NO3 and a molecular weight of 277.05 g/mol.
Structurally, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,2,2-trifluoroethyl)isoxazole (C11H15BF3NO3) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.5, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 277.05 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,2,2-trifluoroethyl)isoxazole 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 | C11H15BF3NO3 |
| Molecular Weight | 277.05 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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) | 3.5 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Tetramethyl Standards
- 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole (CAS 1325222-64-7)
- Methyl 2-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)acetate (CAS 1020658-68-7)
- Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isonicotinate (CAS 1241898-91-8)
- Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate (CAS 1309981-37-0)
- Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate (CAS 1315350-13-0)
- Methyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate (CAS 1384313-38-5)
- (4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)methyl acetate (CAS 959756-37-7)
- Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate (CAS 741709-56-8)
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