4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzoic acid CAS 1383968-53-3
| CAS No. | 1383968-53-3 |
| Molecular Formula | C14H16BF3O4 |
| Molecular Weight | 316.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzoic acid 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.
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzoic acid (CAS 1383968-53-3), molecular formula C14H16BF3O4 and molecular weight 316.08 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzoic acid (C14H16BF3O4) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.5, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 316.08 g/mol, it falls into the moderately-high-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C14H16BF3O4 |
| Molecular Weight | 316.08 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 |
| 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) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
Related Tetramethyl Standards
- 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzaldehyde (CAS 1112209-48-9)
- 2-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzoic acid (CAS 1400976-18-2)
- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethoxy)benzaldehyde (CAS 2121513-88-8)
- 2-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoic acid (CAS 2377607-44-6)
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoic acid (CAS 2121513-72-0)
- 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)benzaldehyde (CAS 923281-74-7)
- 2-Oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-chromene-3-carboxylic acid (CAS 1442461-73-5)
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((1-(trifluoromethyl)cyclopropyl)methyl)-1H-pyrazole (CAS 2260710-93-6)
Recommended Standards
- 4-Amino-6-bromo-2-(trifluoromethyl)quinoline-3-carbonitrile (CAS 1209063-53-5)
- Ethyl 5-amino-4-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylate (CAS 1427023-16-2)
- 5-[(4-bromo-3-nitro-1h-pyrazol-1-yl)methyl]furan-2-carboxylic acid (CAS 512809-85-7)
- 7-Bromo-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 1956310-19-2)
- 4,4-Dimethylpiperidine-1-sulfonyl chloride (CAS 1037041-50-1)
- 4-(Chloromethyl)-2-phenylpyrimidine (CAS 179260-80-1)
- (3aS,4S,6S,6aR)-6-Allyl-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-ol (CAS 1535192-99-4)
- N-isobutyl-4-(morpholinosulfonyl)aniline (CAS 648408-29-1)
- Oracet Blue (CAS 3179-96-2)
- N-[2-(1-aminoethyl)phenyl]methanesulfonamide hydrochloride (CAS 1170639-76-5)
- (9H-Fluoren-9-yl)methyl (9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)carbamate (CAS 87424-20-2)
- (7-Methoxynaphthalen-2-yl)methanamine (CAS 1261505-43-4)
- 1-(2-Fluorophenyl)pentan-1-amine (CAS 1270354-19-2)
- D-Pro36-Tirzepatide (CAS CATO-CPTD788903)
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