Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate CAS 873846-89-0
| CAS No. | 873846-89-0 |
| Molecular Formula | C15H18BF3O4 |
| Molecular Weight | 330.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate (CAS 873846-89-0), molecular formula C15H18BF3O4 and molecular weight 330.11 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C15H18BF3O4, Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 330.11 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate 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 | C15H18BF3O4 |
| Molecular Weight | 330.11 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep sealed and dry |
| 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) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
Related Methyl Standards
- Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate (CAS 1150271-61-6)
- Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate (CAS 1671078-38-8)
- Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzoate (CAS 1810790-95-4)
- 4,4,5,5-Tetramethyl-2-[4-(pentafluorosulfanyl)phenyl]-1,3,2-dioxaborolane (CAS 1286278-34-9)
- 4,4,5,5-Tetramethyl-2-(m-pentafluorosulfanylbenzene)-1,3,2-dioxaborolane (CAS 1286278-35-0)
- 4,4,5,5-Tetramethyl-2-(4-propoxy-2-(trifluoromethyl)phenyl)-1,3,2-dioxaborolane (CAS 1186482-12-1)
- 4,4,5,5-Tetramethyl-2-[4-(1-methylethoxy)-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane (CAS 1334607-79-2)
- 3-Methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)imidazolidine-2,4-dione (CAS 1295301-38-0)
Recommended Standards
- 3,5-Difluoro-4-iodo-4'-methyl-1,1'-biphenyl (CAS 2586127-07-1)
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- 1-(2,2-Difluoroethyl)-4-iodo-5-(propoxymethyl)-1H-pyrazole (CAS 1856087-53-0)
- 4-(4-Iodobenzoyl)piperazin-2-one (CAS 1031632-95-7)
- 7-Phenyl-3h,4h,7h-pyrazolo[3,4-d][1,2,3]triazin-4-one (CAS 114163-48-3)
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- 4-(2-Ethoxyphenoxy)butanoic acid (CAS 721416-38-2)
- 3-Methylimidazo[1,5-a]pyrazine-8-thiol (CAS 784082-29-7)
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