2,4-Difluoro thioanisole

2,4-Difluoro thioanisole

CAS No.: 130922-40-6
Molecular Formula: C₇H₆F₂S
Molecular Weight: 160.18 g mol⁻¹
Appearance: Colourless to light-yellow liquid
Purity: ≥98 % (GC)
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Product Description

2,4-Difluoro thioanisole is an aromatic thio-ether in which a methylthio group is located on a benzene ring that carries two fluorine atoms at positions 2 and 4. The compound is air-stable, freely soluble in common organic solvents (dichloromethane, ethyl acetate, methanol), and essentially insoluble in water.
Industrial-grade material is supplied with a minimum purity of 98 % and is typically used as a building block for more complex fluorinated sulfides, sulfones, and pharmaceutical intermediates.
Key physical data:
Density: 1.23 g cm⁻³
Boiling point: 164 °C at 760 mmHg
Flash point: 53 °C
Refractive index n²⁰/D: not assigned
Log P (predicted): ~3.0

Typical uses:
Intermediate for the introduction of the 2,4-difluoro-1-methylthioaryl fragment into agro-chemical and pharmaceutical candidates.
Starting material for the corresponding sulfone (after oxidation) which is a key scaffold for benzothiazine-1,1-dioxide COX-2 inhibitors.
Internal standard for GC-MS quantitative analysis of fluorinated thioanisoles in environmental samples.

Quality specification (commercial grade):
Purity (GC): ≥98 %
Water content (KF): ≤0.2 %
Free thiol (as –SH): ≤0.5 %
Residue on ignition: ≤0.1 %

Hazard statement:
Flammable liquid and vapour (H226). Causes skin irritation (H315), serious eye irritation (H319) and may cause respiratory irritation (H335). Keep away from heat, hot surfaces, sparks and open flames. Use explosion-proof equipment, gloves, goggles and adequate ventilation. SDS available on request.

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