Description

4-Fluoroisoquinoline-5-sulfonylchloride (CAS No. 194032-33-2) is a high-purity sulfonyl chloride derivative with the molecular formula C₉H₅ClFNO₂S. This specialized chemical reagent is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive sulfonyl chloride group and fluorinated isoquinoline backbone. The compound is characterized by its excellent stability under controlled conditions and serves as a critical intermediate for the preparation of sulfonamides, sulfonate esters, and other functionalized isoquinoline derivatives. Suitable for advanced research applications, it is rigorously tested for purity and consistency, ensuring optimal performance in coupling reactions and heterocyclic chemistry. Packaged under inert conditions to maintain integrity, this product is ideal for researchers requiring precise and reliable building blocks for complex molecular architectures.

Properties

• CAS Number: 194032-33-2
• Complexity: 329
• IUPAC Name: 4-fluoroisoquinoline-5-sulfonyl chloride
• InChI: InChI=1S/C9H5ClFNO2S/c10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8/h1-5H
• InChI Key: UZUCKWMDQGESLP-UHFFFAOYSA-N
• Exact Mass: 244.9713554
• Molecular Formula: C9H5ClFNO2S
• Molecular Weight: 245.66
• SMILES: C1=CC2=CN=CC(=C2C(=C1)S(=O)(=O)Cl)F
• Topological: 55.4
• Monoisotopic Mass: 244.9713554
• Synonyms: 4-Fluoroisoquinoline-5-sulfonylchloride, 970-777-7, 4-fluoroisoquinoline-5-sulfonyl Chloride, 194032-33-2, 4-fluoro-5-isoquinolinesulfonyl chloride, 5-Isoquinolinesulfonyl chloride, 4-fluoro-, MFCD19200505, SCHEMBL31537, DTXSID60474440, UZUCKWMDQGESLP-UHFFFAOYSA-N, BCP16160, AKOS006336280, CS-W000384, AC-30964, AS-49756, DA-39389, EN300-192298, L10023, 4-fluoro-5-isoquinolinesulfonyl chloride; 5-chlorosulfonyl-4-fluoroisoquinoline; 5-Isoquinolinesulfonyl chloride,4-fluoro

Application

4-Fluoroisoquinoline-5-sulfonylchloride is primarily employed as a key intermediate in the synthesis of biologically active compounds, particularly in medicinal chemistry for drug discovery. Its reactive sulfonyl chloride moiety enables efficient conjugation with amines and alcohols to form sulfonamides or sulfonate esters, respectively. Researchers leverage this compound in the development of enzyme inhibitors, receptor modulators, and fluorescent probes due to its unique fluorinated isoquinoline scaffold. It is also used in material science for designing advanced polymers and functionalized surfaces.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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