3-Bromo-2-(methylthio)phenylboronic acid CAS 2121513-98-0
| CAS No. | 2121513-98-0 |
| Molecular Formula | C7H8BBrO2S |
| Molecular Weight | 246.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 246.92 g/mol gives 3-Bromo-2-(methylthio)phenylboronic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3-Bromo-2-(methylthio)phenylboronic acid (CAS 2121513-98-0), a certified reference material (molecular formula C7H8BBrO2S, MW 246.92 g/mol) for analytical method development and quality control.
Structurally, 3-Bromo-2-(methylthio)phenylboronic acid (C7H8BBrO2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine 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 246.92 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C7H8BBrO2S |
| Molecular Weight | 246.92 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.) | 1997 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
Related Bromo Standards
- 3-Bromo-5-(methylsulfanyl)phenylboronic acid (CAS 1451392-41-8)
- 4-Bromo-2-(methylthio)phenylboronic acid (CAS 2395901-49-0)
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- 2-Bromo-3-iodoprop-1-ene (CAS 111036-04-5)
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- 2-Bromo-5-nitropyridine-4-carboxylic acid (CAS 1053655-82-5)
Recommended Standards
- 2-Amino-3,4,5,6-tetrachlorophenol (CAS 6358-13-0)
- 4-Carboxy-3,5-difluoro-2-nitrophenylboronic acid (CAS 2377611-44-2)
- 2,2,2-trichloro-1-(4-chloro-1H-pyrrol-2-yl)ethanone (CAS 72652-31-4)
- 2-chloro-5-(trichloromethoxy)pyridine (CAS 1221171-73-8)
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- 3-(3-Bromophenyl)-5-isopropyl-1,2,4-oxadiazole (CAS 1315365-60-6)
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- (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-phenylpent-4-ene-1,3-dione (CAS 900015-47-6)
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