2-(2-(Benzyloxy)-5-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane CAS 2096995-24-1

Purity 97%+In StockPharmaceutical Standards
CAS No.2096995-24-1
Molecular FormulaC18H20BBrO3
Molecular Weight375.06 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(2-(Benzyloxy)-5-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane CAS 2096995-24-1 chemical structure

Description

The occurrence of 2-(2-(Benzyloxy)-5-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane is closely related to a steroid core, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-(2-(Benzyloxy)-5-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane (CAS 2096995-24-1), a certified reference material (molecular formula C18H20BBrO3, MW 375.06 g/mol) for analytical method development and quality control.

Structurally, 2-(2-(Benzyloxy)-5-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane (C18H20BBrO3) contains a steroid core, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.5, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 375.06 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC18H20BBrO3
Molecular Weight375.06 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1997
Halogen ContentBr-containing

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