3-Chloro-4-fluoro-2-butanone CAS 86727-59-5

Purity 97%+In StockPharmaceutical Standards
CAS No.86727-59-5
Molecular FormulaC4H6ClFO
Molecular Weight124.54 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Chloro-4-fluoro-2-butanone CAS 86727-59-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 124.54 g/mol gives 3-Chloro-4-fluoro-2-butanone distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Chloro-4-fluoro-2-butanone (CAS 86727-59-5) is a high-purity analytical reference standard with the molecular formula C4H6ClFO and a molecular weight of 124.54 g/mol.

The molecular framework of 3-Chloro-4-fluoro-2-butanone (C4H6ClFO) is characterized by a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, 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.

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.

As a certified reference material (CRM), 3-Chloro-4-fluoro-2-butanone meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC4H6ClFO
Molecular Weight124.54 g/mol
Purity97%+
StorageStore at 2-8°C, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityStable under recommended storage conditions
Degree of Unsaturation (DBE)1.0
CAS Registry Year (est.)1981
Halogen ContentF/Cl-containing

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