(3-Fluoro-5-(4-methylpiperazine-1-carbonyl)phenyl)boronic acid CAS 1704082-15-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1704082-15-4
Molecular FormulaC12H16BFN2O3
Molecular Weight266.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(3-Fluoro-5-(4-methylpiperazine-1-carbonyl)phenyl)boronic acid CAS 1704082-15-4 chemical structure

Description

(3-Fluoro-5-(4-methylpiperazine-1-carbonyl)phenyl)boronic acid (CAS 1704082-15-4), molecular formula C12H16BFN2O3 and molecular weight 266.08 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (3-Fluoro-5-(4-methylpiperazine-1-carbonyl)phenyl)boronic acid (C12H16BFN2O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.5, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 266.08 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.

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 FormulaC12H16BFN2O3
Molecular Weight266.08 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay 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 AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1994
Halogen ContentF-containing
Nitrogen Atoms2

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