3-(4-Bromophenyl)-5-methyl-4-phenylisothiazole CAS 679785-55-8

Purity 97%+In StockPharmaceutical Standards
CAS No.679785-55-8
Molecular FormulaC16H12BrNS
Molecular Weight330.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(4-Bromophenyl)-5-methyl-4-phenylisothiazole CAS 679785-55-8 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 3-(4-Bromophenyl)-5-methyl-4-phenylisothiazole.

3-(4-Bromophenyl)-5-methyl-4-phenylisothiazole (CAS 679785-55-8) is a high-purity analytical reference standard with the molecular formula C16H12BrNS and a molecular weight of 330.24 g/mol.

Based on its molecular formula C16H12BrNS, 3-(4-Bromophenyl)-5-methyl-4-phenylisothiazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 330.24 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 FormulaC16H12BrNS
Molecular Weight330.24 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentBr-containing
Nitrogen Atoms1
Sulfur Atoms1

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