Description

3,5-Difluorothiophenol (CAS No. 99389-26-1) is a high-purity organic compound with the molecular formula C₆H₄F₂S, widely utilized in pharmaceutical, agrochemical, and materials science research. This fluorinated thiophenol derivative features a benzene ring substituted with two fluorine atoms at the 3 and 5 positions, along with a reactive thiol (-SH) group, making it a versatile building block for synthesizing complex molecules. Its unique electronic and steric properties enable applications in cross-coupling reactions, ligand design, and polymer modification. Available in sealed ampules or custom bulk quantities, our product is rigorously tested via GC/MS and NMR to ensure ≥98% purity, meeting stringent laboratory standards. Store under inert gas at 2-8°C to prevent oxidation.

Properties

• CAS Number: 99389-26-1
• Complexity: 87.1
• IUPAC Name: 3,5-difluorobenzenethiol
• InChI: InChI=1S/C6H4F2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
• InChI Key: LFYVNHDFVIPZHV-UHFFFAOYSA-N
• Exact Mass: 146.00017763
• Molecular Formula: C6H4F2S
• Molecular Weight: 146.16
• SMILES: C1=C(C=C(C=C1F)S)F
• Topological: 1
• Monoisotopic Mass: 146.00017763
• Synonyms: 3,5-Difluorothiophenol, 99389-26-1, DTXSID40374297, DTXCID20325328, 3,5-difluorobenzenethiol, BENZENETHIOL, 3,5-DIFLUORO-, 3,5-Difluoro Thiophenol, 3,5-difluorobenzene-1-thiol, 3,5-DIFLUORO-BENZENETHIOL, MFCD06201795, 3,5-Difluorophenyl mercaptan, SCHEMBL458103, SCHEMBL2088785, LFYVNHDFVIPZHV-UHFFFAOYSA-N, 3,5-difluorothiophenol, AldrichCPR, BBL103584, SBB086487, STL557394, AKOS005256319, CS-W023131, PS-11927, EN300-673748

3,5-Difluorothiophenol serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly kinase inhibitors and antimicrobial agents. It is employed in palladium-catalyzed coupling reactions to introduce sulfur-containing motifs into heterocyclic scaffolds. Researchers also utilize it to modify surface properties of polymers and nanoparticles due to its thiol reactivity. In agrochemistry, it aids in developing novel pesticides with enhanced metabolic stability.

Safety and Hazards

GHS Hazard Statements

• H225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): 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, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (25%)
• Flam. Liq. 3 (50%)
• Acute Tox. 4 (25%)
• Skin Irrit. 2 (50%)
• Skin Sens. 1 (25%)
• Eye Dam. 1 (25%)
• Eye Irrit. 2 (50%)
• STOT SE 3 (50%)

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