1,2,4-Trifluoro-5-(methylsulfonyl)benzene CAS 845616-49-1

Purity 97%+In StockPharmaceutical Standards
CAS No.845616-49-1
Molecular FormulaC7H5F3O2S
Molecular Weight210.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,2,4-Trifluoro-5-(methylsulfonyl)benzene CAS 845616-49-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 210.17 g/mol gives 1,2,4-Trifluoro-5-(methylsulfonyl)benzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1,2,4-Trifluoro-5-(methylsulfonyl)benzene (CAS 845616-49-1) is a high-purity analytical reference standard with the molecular formula C7H5F3O2S and a molecular weight of 210.17 g/mol.

Structurally, 1,2,4-Trifluoro-5-(methylsulfonyl)benzene (C7H5F3O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 210.17 g/mol, it falls into the medium-molecular-weight range. 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), 1,2,4-Trifluoro-5-(methylsulfonyl)benzene 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 FormulaC7H5F3O2S
Molecular Weight210.17 g/mol
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Sulfur Atoms1

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