4-Bromo-3-methylbenzyl methanesulfonate CAS 948350-91-2
| CAS No. | 948350-91-2 |
| Molecular Formula | C9H11BrO3S |
| Molecular Weight | 279.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 279.15 g/mol gives 4-Bromo-3-methylbenzyl methanesulfonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Bromo-3-methylbenzyl methanesulfonate (CAS 948350-91-2) is a high-purity analytical reference standard with the molecular formula C9H11BrO3S and a molecular weight of 279.15 g/mol.
Structurally, 4-Bromo-3-methylbenzyl methanesulfonate (C9H11BrO3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 279.15 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C9H11BrO3S |
| Molecular Weight | 279.15 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
Related Bromo Standards
- 5-Bromo-2-methyl-4-methylsulfonylphenylhydrazine (CAS 1000018-33-6)
- 1-Bromo-4-(2-methanesulfonylethoxy)benzene (CAS 1178649-34-7)
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Recommended Standards
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- 1,4-Dichlorospiro[6,8-dihydro-5H-phthalazine-7,3'-oxetane] (CAS 2893971-41-8)
- 2,5-Dibromo-3-ethyl-6-methylpyridine (CAS 38749-85-8)
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- 6-Bromo-4-chromanone (CAS 49660-57-3)
- Ethyl 4-acetoxy-7,8-dimethoxy-2-naphthoate (CAS 26129-62-4)
- 2-Bromo-3,4-dimethyl-6-nitroaniline (CAS 22378-67-2)
- Acetyl-Exenatide trifluoroacetate salt (CAS 305815-28-5)
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