Description

2-Fluorothiophenol (CAS No. 2557-78-0) is a specialized organosulfur compound with the molecular formula C₆H₅FS. This high-purity reagent, also known as 2-fluorobenzenethiol, is widely utilized in synthetic organic chemistry, pharmaceutical research, and material science applications. The compound features a fluorine substituent at the ortho position of the thiophenol ring, enhancing its reactivity in nucleophilic aromatic substitution and metal-catalyzed coupling reactions.

Our 2-Fluorothiophenol is rigorously tested to meet the highest standards (≥98% purity by GC), ensuring optimal performance in sensitive reactions. It is available in secure, light-resistant packaging under inert atmosphere to prevent oxidation. Ideal for use as a building block in heterocyclic synthesis, ligand design, and agrochemical intermediates.

Key Specifications:
– CAS: 2557-78-0
– Molecular Weight: 128.17 g/mol
– Appearance: Colorless to pale yellow liquid
– Density: 1.21 g/cm³ (predicted)
– Storage: 2-8°C under nitrogen
– Hazard Codes: Toxic (T), Corrosive (C)

Properties

• CAS Number: 2557-78-0
• Complexity: 74.9
• IUPAC Name: 2-fluorobenzenethiol
• InChI: InChI=1S/C6H5FS/c7-5-3-1-2-4-6(5)8/h1-4,8H
• InChI Key: WJTZZPVVTSDNJJ-UHFFFAOYSA-N
• Exact Mass: 128.00959950
• Molecular Formula: C6H5FS
• Molecular Weight: 128.17
• SMILES: C1=CC=C(C(=C1)F)S
• Topological: 1
• Monoisotopic Mass: 128.00959950
• Synonyms: 2-Fluorothiophenol, 2557-78-0, DTXSID70334283, DTXCID80285373, 628-769-3, 2-Fluorobenzenethiol, o-Fluorothiophenol, 2-FLUOROBENZENE-1-THIOL, MFCD00041419, o-fluorobenzenethiol, 2-fluoro-benzenethiol, fluorothiophenol, 2-fluoro-thiophenol, 2-fluorobenzene thiol, 2-Mercaptofluorobenzene, 2-Fluorobenzenethiol #, (2-fluorophenyl)sulfanide, 2-Fluorothiophenol, 97%, SCHEMBL19056, SCHEMBL513579, SCHEMBL10534179, SCHEMBL28062449, AKOS005254476, PS-9160, DB-046735, CS-0040417, F0419, 1-Fluoro-2-mercaptobenzene;2-Fluorothiophenol, EN300-07354, F17745

Application

2-Fluorothiophenol serves as a versatile precursor in pharmaceutical synthesis, particularly for introducing fluorine-containing arylthio groups into target molecules. It is employed in palladium-catalyzed cross-coupling reactions to construct biaryl thioethers with enhanced metabolic stability. Researchers utilize this compound to develop novel PET radiotracers due to the favorable nuclear properties of fluorine-18. In materials science, it acts as a surface modifier for nanoparticles and a monomer for conductive polymers.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.