8-Bromothiochroman-4-one CAS 1097803-59-2
| CAS No. | 1097803-59-2 |
| Molecular Formula | C9H7BrOS |
| Molecular Weight | 243.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
8-Bromothiochroman-4-one (CAS 1097803-59-2) is a high-purity analytical reference standard with the molecular formula C9H7BrOS and a molecular weight of 243.12 g/mol.
Based on its molecular formula C9H7BrOS, 8-Bromothiochroman-4-one contains sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 243.12 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C9H7BrOS |
| Molecular Weight | 243.12 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
Related Bromothiochroman Standards
- 6-Bromothiochroman-4-one (CAS 13735-13-2)
- 7-Bromothiochroman-4-one (CAS 13735-16-5)
- 3-bromothiochroman-4-one (CAS 22366-66-1)
- 7-Bromothiochroman-4-ol (CAS 13735-27-8)
- 8-Bromothiochroman (CAS 1369139-45-6)
- 3-Bromothiochroman-4-one 1,1-dioxide (CAS 27720-87-2)
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