5-Bromo-1,3-dimethyl-2-(methylsulfanyl)benzene CAS 648906-19-8
| CAS No. | 648906-19-8 |
| Molecular Formula | C9H11BrS |
| Molecular Weight | 231.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Bromo-1,3-dimethyl-2-(methylsulfanyl)benzene (CAS 648906-19-8) is a high-purity analytical reference standard with the molecular formula C9H11BrS and a molecular weight of 231.15 g/mol.
Structurally, 5-Bromo-1,3-dimethyl-2-(methylsulfanyl)benzene (C9H11BrS) contains sulfur-containing functionality, 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 231.15 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 | C9H11BrS |
| Molecular Weight | 231.15 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- 5-(3-Fluoro-5-(trifluoromethyl)phenyl)oxazole (CAS 2364584-80-3)
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- (4r)-6-Bromo-3,4-dihydro-2h-1-benzopyran-4-ol (CAS 1270291-39-8)
- 3-Bromo-N-(5-chloropyridin-2-yl)benzamide (CAS 313660-74-1)
- 3-(3-Chloroprop-2-enamido)propanoic acid (CAS 1087792-14-0)
- 1-(2-(Difluoromethoxy)-5-methylphenyl)propan-1-one (CAS 1806387-25-6)
- 1,19-EICOSADIENE (CAS 14811-95-1)
- 1-Amino-3-(4-fluorophenyl)benzo[4,5]imidazo[1,2-a]pyridine-2,4-dicarbonitrile (CAS 300719-01-1)
- Liraglutide Impurity 6 TFA Salt (CAS CATO-C4X-19926)
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