2-Bromo-1-methyl-4-((trifluoromethyl)sulfonyl)benzene CAS 1133116-35-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1133116-35-4
Molecular FormulaC8H6BrF3O2S
Molecular Weight303.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Bromo-1-methyl-4-((trifluoromethyl)sulfonyl)benzene CAS 1133116-35-4 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-Bromo-1-methyl-4-((trifluoromethyl)sulfonyl)benzene.

2-Bromo-1-methyl-4-((trifluoromethyl)sulfonyl)benzene (CAS 1133116-35-4) is a high-purity analytical reference standard with the molecular formula C8H6BrF3O2S and a molecular weight of 303.10 g/mol.

Based on its molecular formula C8H6BrF3O2S, 2-Bromo-1-methyl-4-((trifluoromethyl)sulfonyl)benzene contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 303.10 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC8H6BrF3O2S
Molecular Weight303.10 g/mol
Purity97%+
StorageStore at room temperature
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.)1989
Halogen ContentF/Br-containing
Sulfur Atoms1

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