| CAS No. | 13191-40-7 |
| Molecular Formula | C7H6Br2O2S |
| Molecular Weight | 313.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
3-(2,5-Dibromothiophen-3-yl)propanoic acid (CAS 13191-40-7) is a high-purity analytical reference standard with the molecular formula C7H6Br2O2S and a molecular weight of 313.99 g/mol.
Structurally, 3-(2,5-Dibromothiophen-3-yl)propanoic acid (C7H6Br2O2S) 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 313.99 g/mol, it falls into the moderately-high-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.
| Molecular Formula | C7H6Br2O2S |
| Molecular Weight | 313.99 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1960 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |