4-Methylbenzoyl isothiocyanate CAS 16794-68-6

Purity 97%+In StockPharmaceutical Standards
CAS No.16794-68-6
Molecular FormulaC9H7NOS
Molecular Weight177.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Methylbenzoyl isothiocyanate CAS 16794-68-6 chemical structure

Description

CATO supplies 4-Methylbenzoyl isothiocyanate (CAS 16794-68-6), a certified reference material (molecular formula C9H7NOS, MW 177.22 g/mol) for analytical method development and quality control.

The molecular framework of 4-Methylbenzoyl isothiocyanate (C9H7NOS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. 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 FormulaC9H7NOS
Molecular Weight177.22 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1961
Nitrogen Atoms1
Sulfur Atoms1

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