(E)-4-(2-(4-bromo-2-fluorophenoxy)phenyl)but-3-en-2-one CAS 451485-72-6

Purity 97%+In StockPharmaceutical Standards
CAS No.451485-72-6
Molecular FormulaC16H12BrFO2
Molecular Weight335.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(E)-4-(2-(4-bromo-2-fluorophenoxy)phenyl)but-3-en-2-one CAS 451485-72-6 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 335.17 g/mol gives (E)-4-(2-(4-bromo-2-fluorophenoxy)phenyl)but-3-en-2-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

(E)-4-(2-(4-bromo-2-fluorophenoxy)phenyl)but-3-en-2-one (CAS 451485-72-6), molecular formula C16H12BrFO2 and molecular weight 335.17 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (E)-4-(2-(4-bromo-2-fluorophenoxy)phenyl)but-3-en-2-one (C16H12BrFO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 335.17 g/mol, it falls into the moderately-high-molecular-weight range. 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.

CATO manufactures (E)-4-(2-(4-bromo-2-fluorophenoxy)phenyl)but-3-en-2-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC16H12BrFO2
Molecular Weight335.17 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light
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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Br-containing

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