4-Bromo-2-cyano-5-(trifluoromethyl)benzenesulfonyl chloride CAS 1805416-99-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1805416-99-2
Molecular FormulaC8H2BrClF3NO2S
Molecular Weight348.52 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Bromo-2-cyano-5-(trifluoromethyl)benzenesulfonyl chloride CAS 1805416-99-2 chemical structure

Description

The occurrence of 4-Bromo-2-cyano-5-(trifluoromethyl)benzenesulfonyl chloride is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4-Bromo-2-cyano-5-(trifluoromethyl)benzenesulfonyl chloride (CAS 1805416-99-2) is a high-purity analytical reference standard with the molecular formula C8H2BrClF3NO2S and a molecular weight of 348.52 g/mol.

Based on its molecular formula C8H2BrClF3NO2S, 4-Bromo-2-cyano-5-(trifluoromethyl)benzenesulfonyl chloride contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 348.52 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC8H2BrClF3NO2S
Molecular Weight348.52 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentF/Cl/Br-containing
Nitrogen Atoms1
Sulfur Atoms1

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