2-(3-(1,1-Difluoroethyl)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane CAS 445303-68-4
| CAS No. | 445303-68-4 |
| Molecular Formula | C14H18BF3O2 |
| Molecular Weight | 286.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 286.10 g/mol gives 2-(3-(1,1-Difluoroethyl)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(3-(1,1-Difluoroethyl)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 445303-68-4), molecular formula C14H18BF3O2 and molecular weight 286.10 g/mol, is a CATO reference standard with documented purity and traceability.
2-(3-(1,1-Difluoroethyl)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (C14H18BF3O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C14H18BF3O2 |
| Molecular Weight | 286.10 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; 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.) | 2025 |
| Halogen Content | F-containing |
Related Difluoroethyl Standards
- 2-(2-(1,1-Difluoroethyl)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2222553-85-5)
- 2-(3-(1,1-Difluoroethyl)-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 627526-11-8)
- 2,2-Difluoroethyl (4,4,5,5,5-pentafluoropentyl) carbonate (CAS 1980040-02-5)
- 1-(2,2-Difluoroethyl)-4-iodo-3,5-dimethyl-1H-pyrazole (CAS 1354705-34-2)
- 1-(2,2-Difluoroethyl)-4-iodo-5-methyl-1H-pyrazol-3-amine (CAS 1354706-79-8)
- Methyl 5-(4-(1,1-difluoroethyl)phenyl)piperidine-3-carboxylate (CAS 1256841-57-2)
- 4-({[1-(2,2-difluoroethyl)-1H-pyrazol-4-yl]amino}methyl)-2-methoxyphenol (CAS 1172971-94-6)
- n-(2,2-Difluoroethyl)-3-iodoaniline (CAS 1184404-75-8)
Recommended Standards
- 2-(1-Aminoethyl)-3-bromo-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 918422-25-0)
- 2-(5-(Difluoromethyl)-3-fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2856022-19-8)
- (7-bromo-4-fluoro-2-methyl-1H-indol-3-yl) acetate (CAS 2435823-15-5)
- 3-Bromo-5-fluoro-1-(4-methoxybenzyl)-1H-1,2,4-triazole (CAS 2795110-35-7)
- 5-Cyclopropoxy-N,N,6-trimethylnicotinamide (CAS 1243312-20-0)
- [4-[[5-Chloro-4-(methylamino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-morpholinylmethanone (CAS 1351758-81-0)
- 1-Cyclohexyl-1H-1,2,4-triazol-5-amine (CAS 1248428-15-0)
- N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide (CAS 313981-48-5)
- N-(2-bromo-5-(dimethoxymethyl)pyridin-3-yl)pivalamide (CAS 1171919-93-9)
- (S)-6-Methoxychroman-4-amine (CAS 1018978-90-9)
- 5-Bromo-2-(difluoromethyl)benzaldehyde (CAS 1779823-24-3)
- Norfloxacin Impurity 63 (CAS 106847-42-1)
- 1-chloro-3-nitro-2-(trifluoromethyl)benzene (CAS 133391-58-9)
- Pancreatic Polypeptide (human) trifluoroacetate salt (CAS 75976-10-2)
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