1-(3-Bromo-4-fluorophenyl)-4-cyclopropylbutane-1,3-dione CAS 2065223-86-9

Purity 97%+In StockPharmaceutical Standards
CAS No.2065223-86-9
Molecular FormulaC13H12BrFO2
Molecular Weight299.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3-Bromo-4-fluorophenyl)-4-cyclopropylbutane-1,3-dione CAS 2065223-86-9 chemical structure

Description

1-(3-Bromo-4-fluorophenyl)-4-cyclopropylbutane-1,3-dione (CAS 2065223-86-9), molecular formula C13H12BrFO2 and molecular weight 299.14 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C13H12BrFO2, 1-(3-Bromo-4-fluorophenyl)-4-cyclopropylbutane-1,3-dione contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 299.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC13H12BrFO2
Molecular Weight299.14 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1997
Halogen ContentF/Br-containing

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Why CATO?