Description

Pyridine-2-sulfonyl Fluoride (CAS No. 878376-35-3) is a high-purity sulfonyl fluoride derivative with the molecular formula C₅H₄FNO₂S. This specialized chemical is widely utilized in organic synthesis, medicinal chemistry, and biochemical research due to its reactive sulfonyl fluoride group, which serves as a versatile electrophile in click chemistry and covalent inhibitor design. The compound features a pyridine ring, enhancing its solubility and reactivity in various solvents. With a molecular weight of 161.16 g/mol, it is supplied as a crystalline solid or solution, ensuring optimal handling and storage conditions. Ideal for researchers developing protease inhibitors, activity-based probes (ABPs), or PET tracers, this reagent is rigorously tested for purity (typically ≥95% by HPLC) and stability.

Properties

• CAS Number: 878376-35-3
• Complexity: 196
• IUPAC Name: pyridine-2-sulfonyl fluoride
• InChI: InChI=1S/C5H4FNO2S/c6-10(8,9)5-3-1-2-4-7-5/h1-4H
• InChI Key: FCFXLXGZHDHJLB-UHFFFAOYSA-N
• Exact Mass: 160.99467771
• Molecular Formula: C5H4FNO2S
• Molecular Weight: 161.16
• SMILES: C1=CC=NC(=C1)S(=O)(=O)F
• Topological: 55.4
• Monoisotopic Mass: 160.99467771
• Synonyms: Pyridine-2-sulfonyl fluoride, 878376-35-3, DTXSID90469460, DTXCID90420278, 819-734-5, 2-Pyridinesulfonyl fluoride, PyFluor, Pyridine-2-sulphonyl fluoride, 2-Pyridinesulfonylfluoride, MFCD09265513, fluoro-2-pyridylsulfone, C5H4FNO2S, Pyridine-2-sulfonylfluoride, SCHEMBL18606310, BBL103190, SBB087501, STL557000, AKOS015854379, NCGC00664972-01, DS-11797, FP165920, DB-352659, CS-0105322, P2398, EN300-244367, Z1255446838

Application

Pyridine-2-sulfonyl Fluoride is a key intermediate in the synthesis of covalent enzyme inhibitors, particularly targeting serine hydrolases. Its sulfonyl fluoride moiety selectively reacts with active-site residues, enabling irreversible inhibition studies. The compound is also employed in in situ click chemistry for drug discovery and as a building block in radiopharmaceuticals. Researchers leverage its stability in aqueous environments for probe development in chemical biology.

Safety and Hazards

GHS Hazard Statements

• H290 (20%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (20%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (40%)

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