4-chloro-2-(methylsulfanyl)-5-(trifluoromethyl)aniline hydrochloride CAS 1989659-10-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1989659-10-0
Molecular FormulaC8H7ClF3NS
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-chloro-2-(methylsulfanyl)-5-(trifluoromethyl)aniline hydrochloride CAS 1989659-10-0 chemical structure

Description

4-chloro-2-(methylsulfanyl)-5-(trifluoromethyl)aniline hydrochloride (CAS 1989659-10-0) is a high-purity analytical reference standard with the molecular formula C8H7ClF3NSHCl and a molecular weight of 278.11 g/mol.

The molecular framework of 4-chloro-2-(methylsulfanyl)-5-(trifluoromethyl)aniline hydrochloride (C8H7ClF3NSHCl) is characterized by a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 FormulaC8H7ClF3NS HCl
Molecular Weight278.11 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1996
Halogen ContentF/Cl-containing
Nitrogen Atoms1
Sulfur Atoms1

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