4-(Trifluoromethyl)-1-cyclohexene-1-boronic Acid Pinacol Ester CAS 683242-93-5

Purity 97%+In StockPharmaceutical Standards
CAS No.683242-93-5
Molecular FormulaC13H20BF3O2
Molecular Weight276.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(Trifluoromethyl)-1-cyclohexene-1-boronic Acid Pinacol Ester CAS 683242-93-5 chemical structure

Description

The occurrence of 4-(Trifluoromethyl)-1-cyclohexene-1-boronic Acid Pinacol Ester is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4-(Trifluoromethyl)-1-cyclohexene-1-boronic Acid Pinacol Ester (CAS 683242-93-5), molecular formula C13H20BF3O2 and molecular weight 276.10 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, 4-(Trifluoromethyl)-1-cyclohexene-1-boronic Acid Pinacol Ester is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 276.10 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC13H20BF3O2
Molecular Weight276.10 g/mol
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityContains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)2.5
CAS Registry Year (est.)1985
Halogen ContentF-containing

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Why CATO?