(2-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(6-methoxypyridazin-3-yl)methanol CAS 1638250-68-6
| CAS No. | 1638250-68-6 |
| Molecular Formula | C18H21BClFN2O4 |
| Molecular Weight | 394.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (2-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(6-methoxypyridazin-3-yl)methanol is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(2-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(6-methoxypyridazin-3-yl)methanol (CAS 1638250-68-6) is a high-purity analytical reference standard with the molecular formula C18H21BClFN2O4 and a molecular weight of 394.63 g/mol.
The molecular framework of (2-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(6-methoxypyridazin-3-yl)methanol (C18H21BClFN2O4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C18H21BClFN2O4 |
| Molecular Weight | 394.63 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 8.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
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Recommended Standards
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- Bis(5-bromo-2-((4-bromophenyl)thio)phenyl)methane (CAS 2393-98-8)
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- Ethyl 2-(4-fluorophenyl)-5-isopropoxybenzofuran-3-carboxylate (CAS 691856-87-8)
- Procaterol Impurity 11 (CAS 103-01-5)
- Allo-D-Ile27-Tirzepatide (CAS CATO-CPTD788961)
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