(5-(Trifluoromethyl)pyrimidin-2-yl)boronic acid CAS 2053636-31-8
| CAS No. | 2053636-31-8 |
| Molecular Formula | C5H4BF3N2O2 |
| Molecular Weight | 191.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 191.90 g/mol gives (5-(Trifluoromethyl)pyrimidin-2-yl)boronic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies (5-(Trifluoromethyl)pyrimidin-2-yl)boronic acid (CAS 2053636-31-8), a certified reference material (molecular formula C5H4BF3N2O2, MW 191.90 g/mol) for analytical method development and quality control.
Structurally, (5-(Trifluoromethyl)pyrimidin-2-yl)boronic acid (C5H4BF3N2O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.5, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 191.90 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C5H4BF3N2O2 |
| Molecular Weight | 191.90 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.5 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Trifluoromethyl Standards
- 2-(Trifluoromethyl)pyrimidine-5-boronic Acid (CAS 1308298-23-8)
- (6-(Trifluoromethyl)pyrimidin-4-yl)boronic acid (CAS 1411768-88-1)
- (2-(Trifluoromethyl)pyrimidin-4-yl)boronic acid (CAS 1439366-13-8)
- 4-(Trifluoromethyl)pyrimidine-2-carboxylic Acid (CAS 1000931-46-3)
- 6-(Trifluoromethyl)pyrazine-2-carboxylic Acid (CAS 1060812-74-9)
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Recommended Standards
- 13444-71-8 CHEBI:29149 HIO4 HOIO3 Periodsaeure Ueberiodsaeure [IO3(OH)] hydrogen tetraoxoiodate hydroxidotrioxidoiodine hydroxy-lambda(7)-iodanetrione periodic acid tetraoxoiodic acid (CAS 13444-71-8)
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