4-Bromo-2-chloro-6-methylphenyl isothiocyanate CAS 1000573-93-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1000573-93-2
Molecular FormulaC8H5BrClNS
Molecular Weight262.55 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Bromo-2-chloro-6-methylphenyl isothiocyanate CAS 1000573-93-2 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 4-Bromo-2-chloro-6-methylphenyl isothiocyanate.

CATO supplies 4-Bromo-2-chloro-6-methylphenyl isothiocyanate (CAS 1000573-93-2), a certified reference material (molecular formula C8H5BrClNS, MW 262.55 g/mol) for analytical method development and quality control.

Based on its molecular formula C8H5BrClNS, 4-Bromo-2-chloro-6-methylphenyl isothiocyanate contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 262.55 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 FormulaC8H5BrClNS
Molecular Weight262.55 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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentCl/Br-containing
Nitrogen Atoms1
Sulfur Atoms1

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