4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenoxy]-2-trifluoromethylbenzonitrile CAS 1367127-44-3
| CAS No. | 1367127-44-3 |
| Molecular Formula | C20H19BF3NO3 |
| Molecular Weight | 389.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenoxy]-2-trifluoromethylbenzonitrile is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenoxy]-2-trifluoromethylbenzonitrile (CAS 1367127-44-3), molecular formula C20H19BF3NO3 and molecular weight 389.18 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenoxy]-2-trifluoromethylbenzonitrile (C20H19BF3NO3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
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 | C20H19BF3NO3 |
| Molecular Weight | 389.18 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Tetramethyl Standards
- 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(6-(trifluoromethyl)pyridin-2-yl)-1H-indazole (CAS 1864768-32-0)
- 4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine (CAS 1883586-01-3)
- 2-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-((2-(trimethylsilyl)ethoxy)methyl)-3H-imidazo[4,5-b]pyridine (CAS 956034-65-4)
- Tetramethyl [4,4'-bipyridine]-2,2',6,6'-tetracarboxylate (CAS 124558-62-9)
- 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrobenzo[b]thiepin-8-yl pivalate (CAS 2226905-78-6)
- N-(4-((3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)phenyl)methanesulfonamide (CAS 1201644-32-7)
- 2,2,6,6-Tetramethyl-3,5-heptanedionatothallium(I) (CAS 133892-72-5)
- Ethyl 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)piperidine-3-carboxylate (CAS 1073355-04-0)
Recommended Standards
- Benzamide, 4-bromo-3-ethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]- (CAS 1620677-35-1)
- N-(5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide (CAS 905680-15-1)
- 4-Dechloro-4-hydroxy Diclazuril (CAS 112206-71-0)
- Ethyl (Z)-3-(tributylstannyl)acrylate (CAS 82101-76-6)
- (S)-2-Amino-N-((R)-1-benzylpyrrolidin-3-yl)-N-cyclopropylpropanamide (CAS 1401666-53-2)
- 3-(3-Cyclobutyl-1,2,4-oxadiazol-5-yl)propan-1-amine (CAS 1491639-68-9)
- 3-oxocyclobutanecarbonyl chloride (CAS 130233-77-1)
- 4-(Cyclopropanesulfonamido)-3-fluorobenzoic acid (CAS 1378649-50-3)
- 168619-01-0 C12H10N2O2 Methyl 3-(pyrimidin-4-yl)benzoate W3676 (CAS 168619-01-0)
- 2-(5-Methylpyridin-2-yl)pyrimidine-5-carboxylic acid (CAS 1447607-92-2)
- Perfluorophenyl isoquinoline-4-carboxylate (CAS 944450-77-5)
- 4,5-Dibromo-2-(difluoromethyl)pyridine-3-sulfonamide (CAS 1805968-88-0)
- Tebipenem Impurity 16 (stabilized with Copper chip) (CAS 53064-79-2)
- 3X Flag Peptide trifluoroacetate salt (CAS 402750-12-3)
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