2-Fluoro-5-(methylthio)phenylboronic acid pinacol ester CAS 2121512-06-7
| CAS No. | 2121512-06-7 |
| Molecular Formula | C13H18BFO2S |
| Molecular Weight | 268.16 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.
2-Fluoro-5-(methylthio)phenylboronic acid pinacol ester (CAS 2121512-06-7) is a high-purity analytical reference standard with the molecular formula C13H18BFO2S and a molecular weight of 268.16 g/mol.
Structurally, 2-Fluoro-5-(methylthio)phenylboronic acid pinacol ester (C13H18BFO2S) contains a sulfone group, 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 4.5, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 268.16 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).
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 | C13H18BFO2S |
| Molecular Weight | 268.16 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; 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 |
| Sulfur Atoms | 1 |
Related Fluoro Standards
- 2-(3-Fluoro-4-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1351499-74-5)
- 5-Fluoro-2-(methylthio)phenylboronic acid pinacol ester (CAS 1428532-52-8)
- 2-Fluoro-4-methylthiophenylboronic acid pinacol ester (CAS 1436431-16-1)
- 2-Fluoro-3-(methylsulfanyl)phenylboronic acid pinacol ester (CAS 2121512-11-4)
- 4-Fluoro-3-(methylthio)phenylboronic acid pinacol ester (CAS 2121513-04-8)
- 6-Fluoro-2-(methylsulfanyl)phenylboronic acid pinacol ester (CAS 2121513-47-9)
- (3-Fluoro-4-(octyloxy)phenyl)boronic acid (CAS 123598-51-6)
- 1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 926224-15-9)
Recommended Standards
- 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 2048186-75-8)
- 2,5-Dichloro-n-propylbenzene-1-sulfonamide (CAS 88522-13-8)
- 2-Methylnaphthalene-1-boronic Acid Pinacol Ester (CAS 312303-48-3)
- 2,4-Dichloro-N-propylbenzenesulfonamide (CAS 328062-40-4)
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- 2-[(4-aminophenyl)methyl]-1,3-thiazole-4-carboxylic acid dihydrochloride (CAS 1461708-11-1)
- 2-((Methylthio)methyl)pyrazine (CAS 59021-03-3)
- 1-(2-Chloro-6-fluorobenzyl)-1,4-diazepane (CAS 244022-69-3)
- 1-(4-(((6-Methylquinolin-2-yl)methylene)amino)phenyl)ethanone (CAS 89060-07-1)
- Pancreatic Polypeptide (31-36), amide, human (CAS 74012-13-8)
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