(4-(Methylthio)-2-(trifluoromethyl)phenyl)boronic acid CAS 1072945-99-3
| CAS No. | 1072945-99-3 |
| Molecular Formula | C8H8BF3O2S |
| Molecular Weight | 236.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(4-(Methylthio)-2-(trifluoromethyl)phenyl)boronic acid (CAS 1072945-99-3) is a high-purity analytical reference standard with the molecular formula C8H8BF3O2S and a molecular weight of 236.02 g/mol.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, (4-(Methylthio)-2-(trifluoromethyl)phenyl)boronic acid is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 236.02 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C8H8BF3O2S |
| Molecular Weight | 236.02 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.5 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Methylthio Standards
- 3-(Methylthio)-5-(trifluoromethyl)phenylboronic Acid (CAS 957120-83-1)
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- 4-(Methylthio)-2-(trifluoromethyl)benzoic acid (CAS 118939-16-5)
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Recommended Standards
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- N-Boc-5-hydroxyindole, 97% (CAS 434958-85-7)
- 1-(2-fluorophenyl)-N-(6-methylpyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 1135139-56-8)
- 4-(4-Chlorophenyl)-2-fluorophenol (CAS 1261944-84-6)
- 2-Methoxy-5-(trifluoromethoxy)benzamide (CAS 886499-98-5)
- Semaglutide impurity 44 (CAS CATO-C4X-222644)
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