4-(Phenylthio)phenol

4-(Phenylthio)phenol

CAS No.: 5633-55-6
Molecular Formula: C₁₂H₁₀OS
Molecular Weight: 202.27 g mol⁻¹
Appearance: Off-white to light-yellow crystalline powder
Purity: ≥98 % (HPLC)
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Product Description

4-(Phenylthio)phenol is an aromatic hydroxyl sulfide in which a phenylthio group is located para to the phenolic hydroxyl. The compound is faintly sulfurous, air-stable, readily soluble in common organic solvents (ethanol, methanol, ethyl acetate, dichloromethane) and only sparingly soluble in cold water.
Key physicochemical data:
Melting point: 85–87 °C
Boiling point: 315 °C / 760 mmHg (predicted)
Density: 1.23 g cm⁻³ (predicted)
pKa (phenolic): ≈ 9.2
Log P (predicted): 4.1

Typical uses:
Key precursor for benzothiazine-1,1-dioxide COX-2 inhibitors after oxidation of the thio-ether to sulfone.
Starting material for liquid-crystalline materials and UV-absorbers that require a para-hydroxy-diphenyl sulfide scaffold.
Internal standard for GC-MS quantitative analysis of phenylthio-phenols in environmental samples.

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. SDS available on request.

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