2-Nitro-4'-chloro diphenyl sulfide is an aromatic thio-ether bearing a nitro group ortho to the sulfur bridge and a chlorine atom para to the sulfur on the opposite ring. The compound is air-stable, freely soluble in dichloromethane, chloroform, ethyl acetate and toluene, and essentially insoluble in water.
Key physicochemical data:
Melting point: 82–84 °C
Predicted boiling point: 378 °C at 760 mmHg
Predicted density: 1.45 g cm⁻³
Predicted log P (octanol/water): 4.0
Flash point: > 180 °C
Typical uses:
Key intermediate for benzothiazine-1,1-dioxide COX-2 inhibitors after reduction of the nitro group to an amine, followed by cyclisation and oxidation of the sulfur.
Building block for diaryl-sulfone pharmaceutical impurities and agro-chemical standards.
Internal standard for GC-MS quantitative analysis of nitro-chloro-thioether residues.
Quality specification (commercial grade):
Purity (HPLC): ≥98 %
Water content (KF): ≤0.3 %
Residue on ignition: ≤0.1 %
Heavy metals: ≤20 ppm
Hazard statement:
Causes skin and eye irritation (R36/37/38). Avoid inhalation of dust; use gloves, goggles and adequate ventilation. Store in a cool, dry place away from oxidants. SDS available on request.
