2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-4-(trifluoromethyl)phenol CAS 2096994-95-3
| CAS No. | 2096994-95-3 |
| Molecular Formula | C12H14BF3O3 |
| Molecular Weight | 274.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 274.04 g/mol gives 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-4-(trifluoromethyl)phenol distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-4-(trifluoromethyl)phenol (CAS 2096994-95-3), molecular formula C12H14BF3O3 and molecular weight 274.04 g/mol, is a CATO reference standard with documented purity and traceability.
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-4-(trifluoromethyl)phenol (C12H14BF3O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. It is notably hygroscopic, 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C12H14BF3O3 |
| Molecular Weight | 274.04 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F-containing |
Related Dimethyl Standards
- 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenol (CAS 2096995-37-6)
- Dimethyl 3-bromopyridine-2,4-dicarboxylate (CAS 1222185-12-7)
- Dimethyl 4-bromopyridine-2,6-dicarboxylate, 97% (CAS 162102-79-6)
- Dimethyl 3-bromopyridine-2,6-dicarboxylate (CAS 316808-11-4)
- Dimethyl 5-bromopyridine-2,3-dicarboxylate (CAS 521980-82-5)
- 2-(3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1154741-01-1)
- 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid (CAS 929974-79-8)
- Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate (CAS 116896-76-5)
Recommended Standards
- N-[1-(2-Bromoacetyl)cyclopropyl]-2,2,2-trifluoroacetamide (CAS 1564662-01-6)
- 2-Cyclopentyloxy-4-(trifluoromethyl)phenylboronic acid (CAS 2096333-26-3)
- 3-Bromo-1-(2,2,2-trifluoroacetyl)piperidin-4-one (CAS 1004764-03-7)
- N-Nitroso Linagliptin impurity 100 (CAS CATO-C4X-1101100)
- 3-(Ethylthio)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile (CAS 175202-70-7)
- N-(2-Chloro-4,6-dimethylphenyl)-3-phenylpropanamide (CAS 449169-91-9)
- Ethyl 1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-4-(4-chlorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS 339100-78-6)
- Sodium 5-Amino-2-hydroxybenzoate (CAS 35589-28-7)
- (2-Chloro-4-(trifluoromethoxy)phenyl)methanamine (CAS 874571-72-9)
- 5,6-Dimethoxynicotinonitrile (CAS 1112851-31-6)
- Ezetimibe Impurity 92 (CAS 2469633-86-9)
- 6-Phenyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine (CAS 175787-78-7)
- (2R,5S)-5-benzylpiperidine-2-carboxylic acid (CAS 1221793-44-7)
- Serpent Peptide 2AcOH (CAS 823202-99-9(free base))
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