2-(4-Chlorothiophen-3-yl)-5,5-dimethyl-1,3,2-dioxaborinane CAS 2096995-10-5
| CAS No. | 2096995-10-5 |
| Molecular Formula | C9H12BClO2S |
| Molecular Weight | 230.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-(4-Chlorothiophen-3-yl)-5,5-dimethyl-1,3,2-dioxaborinane (C9H12BClO2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine 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 230.52 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.
2-(4-Chlorothiophen-3-yl)-5,5-dimethyl-1,3,2-dioxaborinane (CAS 2096995-10-5) is a high-purity analytical reference standard with the molecular formula C9H12BClO2S and a molecular weight of 230.52 g/mol.
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 | C9H12BClO2S |
| Molecular Weight | 230.52 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 | Cl-containing |
| Sulfur Atoms | 1 |
Related Chlorothiophen Standards
- 2-(2-Chlorothiophen-3-yl)-5,5-dimethyl-1,3,2-dioxaborinane (CAS 2096995-68-3)
- 2-(3-Chlorothiophen-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (CAS 2096995-06-9)
- 5-(5-Chlorothiophen-2-yl)-1,2,4-oxadiazole-3-carboxylic acid (CAS 1339333-33-3)
- 3-(5-Chlorothiophen-2-yl)-1,1,1-trifluoropropan-2-ol (CAS 1342774-87-1)
- 5-(5-Chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione (CAS 62032-04-6)
- (5-Chlorothiophen-2-yl)(piperazin-1-yl)methanone (CAS 864815-96-3)
- (5-Chlorothiophen-2-yl)(thiophen-2-yl)methanol (CAS 1152950-52-1)
- (2-Chlorothiophen-3-yl)(thiophen-2-yl)methanol (CAS 1250770-87-6)
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