3-Nitro phenyl ethyl sulfide is an aromatic thio-ether in which an ethylthio group is attached to a benzene ring that carries a nitro substituent in the meta position. The compound is air- and photo-stable, freely soluble in common organic solvents (dichloromethane, chloroform, ethyl acetate, toluene, alcohols, ketones), and only sparingly soluble in water (< 0.5 g L⁻¹ at 25 °C).
Key physicochemical data:
Density: 1.23 g cm⁻³ (20 °C)
Refractive index n²⁰/D: 1.586
Boiling point: 277–278 °C / 760 mmHg
Flash point: 122 °C (closed cup)
Log P (octanol/water): 3.1 (predicted)
Typical uses:
Versatile building block for m-nitro-phenyl sulfoxide/sulfone pharmaceutical intermediates and agro-chemicals.
Precursor for meta-substituted diaryl sulfones used as COX-2 inhibitors, herbicide safeners and UV-absorbers.
Model substrate for mechanistic studies on electron-deficient C–S bond activation and cross-coupling reactions.
Quality specification (commercial grade):
Purity (GC): ≥98 %
Water content (KF): ≤0.2 %
Free thiol (as PhSH): ≤0.1 %
Residue on ignition: ≤0.1 %
Heavy metals: ≤20 ppm
Hazard statement:
Causes skin and eye irritation (R36/37/38). Harmful if swallowed (R22). Avoid inhalation of vapour; use gloves, goggles and adequate ventilation. SDS available on request .
