1-(2-Bromo-5-chlorophenyl)-4,4,4-trifluoro-1-butanone CAS 1228788-14-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1228788-14-4
Molecular FormulaC10H7BrClF3O
Molecular Weight315.51 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(2-Bromo-5-chlorophenyl)-4,4,4-trifluoro-1-butanone CAS 1228788-14-4 chemical structure

Description

The molecular framework of 1-(2-Bromo-5-chlorophenyl)-4,4,4-trifluoro-1-butanone (C10H7BrClF3O) is characterized by a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution, an aromatic ring system. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

1-(2-Bromo-5-chlorophenyl)-4,4,4-trifluoro-1-butanone (CAS 1228788-14-4) is a high-purity analytical reference standard with the molecular formula C10H7BrClF3O and a molecular weight of 315.51 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 FormulaC10H7BrClF3O
Molecular Weight315.51 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentF/Cl/Br-containing

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