6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]isothiazole CAS 1104071-55-7
| CAS No. | 1104071-55-7 |
| Molecular Formula | C13H16BNO2S |
| Molecular Weight | 261.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]isothiazole (CAS 1104071-55-7) is a high-purity analytical reference standard with the molecular formula C13H16BNO2S and a molecular weight of 261.15 g/mol.
Structurally, 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]isothiazole (C13H16BNO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 6.5, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 261.15 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]isothiazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H16BNO2S |
| Molecular Weight | 261.15 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Tetramethyl Standards
- 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazole (CAS 1002309-47-8)
- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine (CAS 1018953-88-2)
- 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]isothiazole (CAS 1313488-97-9)
- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazole (CAS 1316275-48-5)
- 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-c]pyridine (CAS 1326713-87-4)
- 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]isothiazole (CAS 1326713-92-1)
- 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazole (CAS 1326714-48-0)
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]isothiazole (CAS 1326714-99-1)
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