4-Chlorobenzoyl isothiocyanate CAS 16794-67-5

Purity 97%+In StockPharmaceutical Standards
CAS No.16794-67-5
Molecular FormulaC8H4ClNOS
Molecular Weight197.64 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Chlorobenzoyl isothiocyanate CAS 16794-67-5 chemical structure

Description

The occurrence of 4-Chlorobenzoyl isothiocyanate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4-Chlorobenzoyl isothiocyanate (CAS 16794-67-5) is a high-purity analytical reference standard with the molecular formula C8H4ClNOS and a molecular weight of 197.64 g/mol.

The molecular framework of 4-Chlorobenzoyl isothiocyanate (C8H4ClNOS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 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 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 FormulaC8H4ClNOS
Molecular Weight197.64 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1961
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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