3-(Trifluoromethyl)-4-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)phenol CAS 2096994-58-8
| CAS No. | 2096994-58-8 |
| Molecular Formula | C13H16BF3O3 |
| Molecular Weight | 288.07 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 3-(Trifluoromethyl)-4-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)phenol.
3-(Trifluoromethyl)-4-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)phenol (CAS 2096994-58-8), molecular formula C13H16BF3O3 and molecular weight 288.07 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(Trifluoromethyl)-4-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)phenol (C13H16BF3O3) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. 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.
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 | C13H16BF3O3 |
| Molecular Weight | 288.07 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 Trifluoromethyl Standards
- 4-(Trifluoromethyl)-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)phenol (CAS 2096998-36-4)
- Bis(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)methane (CAS 5228-95-5)
- 3,5-Bis(trifluoromethyl)-2-methoxybenzoic acid (CAS 197015-74-0)
- 2-(3,5-Bis(trifluoromethyl)phenyl)-2-hydroxyacetic acid (CAS 228107-82-2)
- 2-[3,5-bis(trifluoromethyl)phenoxy]acetic acid (CAS 87964-30-5)
- 1,3,5-Tris(trifluoromethyl)cyclohexane (CAS 1177349-24-4)
- 188781-15-9 Ethyl-2-trifluoromethyl-4-trifluoromethyl-5-pyrimidine carboxylate ethyl 2,4-bis(trifluoromethyl)pyrimidine-5-carboxylate (CAS 188781-15-9)
- 1-(3,5-Bis(trifluoromethyl)phenyl)thiourea (CAS 175277-17-5)
Recommended Standards
- 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridin-2-amine (CAS 2096331-04-1)
- 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol (CAS 2638502-47-1)
- 4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane (CAS 832114-04-2)
- 2-Hydroxy-5-(trifluoromethyl)phenylboronic Acid Pinacol Ester (CAS 779331-13-4)
- Fmoc-Nle-OPfp (CAS 121593-77-9)
- 6,9-Bis((2-(pyrrolidin-1-yl)ethyl)amino)benzo[g]isoquinoline-5,10-dione (CAS 144510-91-8)
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- Cyclopentyl(1-(phenylthio)cyclopropyl)methanol (CAS 1956334-92-1)
- (2E)-1-(3-Methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one (CAS 102058-89-9)
- Des-Lys16-Tirzepatide (CAS CATO-CPTD788957)
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