1-(Tert-butyl)-3-(2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea CAS 2246564-39-4
| CAS No. | 2246564-39-4 |
| Molecular Formula | C17H26BClN2O3 |
| Molecular Weight | 352.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 352.66 g/mol gives 1-(Tert-butyl)-3-(2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-(Tert-butyl)-3-(2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (CAS 2246564-39-4), molecular formula C17H26BClN2O3 and molecular weight 352.66 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H26BClN2O3, 1-(Tert-butyl)-3-(2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 352.66 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C17H26BClN2O3 |
| Molecular Weight | 352.66 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- Tetraisopropylthiuram Disulfide (CAS 4136-91-8)
- 2-(3-Chloro-5-(methoxymethoxy)-2-((1S,2R)-2-methylcyclopropyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2758756-24-8)
- 1-(4-Bromophenyl)-3-((3-chloro-4-methylphenyl)amino)propan-1-one (CAS 477334-04-6)
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