(3-Fluoro-5-(piperazin-1-ylmethyl)phenyl)boronic acid hydrochloride CAS 1704096-40-1
| CAS No. | 1704096-40-1 |
| Molecular Formula | C11H16BFN2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of (3-Fluoro-5-(piperazin-1-ylmethyl)phenyl)boronic acid hydrochloride (C11H16BFN2O2HCl) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
(3-Fluoro-5-(piperazin-1-ylmethyl)phenyl)boronic acid hydrochloride (CAS 1704096-40-1) is a high-purity analytical reference standard with the molecular formula C11H16BFN2O2HCl and a molecular weight of 274.53 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 | C11H16BFN2O2 HCl |
| Molecular Weight | 274.53 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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) | 3.5 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Fluoro Standards
- 4-[(2-Fluoro-4-nitrophenoxy)methyl]-1-methylpiperidine (CAS 1000052-54-9)
- 3-Fluoro-4-((1-methylpiperidin-4-yl)methoxy)aniline (CAS 1000053-56-4)
- 2-Fluoro-5-iodo-4-methoxybenzoic acid (CAS 1000162-78-6)
- Ethyl 4-fluoro-3-ethoxybenzoate (CAS 1000207-63-5)
- 6-fluoro-4-iodo-1H-benzo[d]imidazole (CAS 1000308-33-7)
- 2-Fluoro-3-hydroxybenzonitrile (CAS 1000339-24-1)
- 1-(5-Fluoro-2-methylphenyl)pyrrolidine (CAS 1000339-32-1)
- 3-Fluoro-2-nitrobenzoic Acid (CAS 1000339-51-4)
Recommended Standards
- 4-(Methylamino)cyclohexan-1-one (CAS 2976-84-3)
- 2-(2-(Trifluoromethyl)phenyl)pyridin-3-amine (CAS 886507-97-7)
- Ethyl 2-amino-3,5-difluoro-4-methoxybenzoate (CAS 1354963-20-4)
- Methyl 5-amino-2-bromonicotinate (CAS 1805616-77-6)
- 1-(5-Fluoro-2-hydroxy-4-nitrophenyl)ethanone (CAS 2384417-27-8)
- 4-Fluoro-2-nitrobenzeneboronic acid pinacol ester, 97% (CAS 1288978-82-4)
- 2-Amino-3-(benzo[d]thiazol-2-yl)benzofuran-5-ol (CAS 113825-80-2)
- tert-Butyl(5-chloro-2-methoxyphenoxy)dimethylsilane (CAS 1881327-95-2)
- Tetrahydro-1H-pyrrolo[3,4-b]pyrazine-5,7(6H,7aH)-dione (CAS 117311-39-4)
- Semaglutide impurity 210 (CAS CATO-C4X-2226210)
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