Description

N-Fluorobenzenesulfonimide (CAS No. 133745-75-2) is a highly specialized fluorinating reagent with the molecular formula C₁₂H₁₀FNO₄S₂. Also known by its IUPAC name N-(benzenesulfonyl)-N-fluorobenzenesulfonamide, this compound is widely recognized for its role as a selective electrophilic fluorinating agent in organic synthesis. With a purity grade suitable for research and industrial applications, it is an essential tool for introducing fluorine atoms into complex molecules under controlled conditions. Its robust stability and reactivity make it ideal for pharmaceutical, agrochemical, and materials science research. Packaged under inert conditions to ensure longevity and performance, this reagent is a must-have for synthetic chemists seeking precision fluorination.

Properties

• CAS Number: 133745-75-2
• Complexity: 461
• IUPAC Name: N-(benzenesulfonyl)-N-fluoro-benzenesulfonamide
• InChI: InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H
• InChI Key: RLKHFSNWQCZBDC-UHFFFAOYSA-N
• Exact Mass: 315.00352831
• Molecular Formula: C12H10FNO4S2
• Molecular Weight: 315.3
• SMILES: C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2
• Topological: 88.3
• Monoisotopic Mass: 315.00352831
• Synonyms: N-Fluorobenzenesulfonimide, 133745-75-2, N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide, ACCUFLUOR NFSI, BENZENESULFONAMIDE, N-FLUORO-N-(PHENYLSULFONYL)-, N-Fluorobenzenesulfonimide [MI], 38TGL3A00I, (18F)-N-fluorobenzenesulfonimide, DTXSID10343177, DTXCID70294257, 431-940-3, 603-762-8, NFSI, N-Fluorodibenzenesulfonimide, n-fluorobenzenesulphonimide, NFBS, bis(phenylsulfonyl)fluoroamine, (Phso2)2NF, N-Fluorobis(phenylsulfonyl)amine, N-(benzenesulfonyl)-N-fluorobenzenesulfonamide, N-(benzenesulfonyl)-S-phenylfluoranesulfonamido, UNII-38TGL3A00I, MFCD00144885, MLS001359884, N-Fluorodi(benzenesulfonyl)amine, N-Fluorobenzenesulfonimide, 97%, N-Fluorobenzensulfonimide, SMR001224404, n-fluorodibenzenesulfonamide, C12H10FNO4S2, N-FLUOROBIS(PHENYLSULPHONYL)AMINE, N-Fluorobenzenesulfonmide, N-fluoro benzenesulfonimide, N-fluorobenzene sulfonimide, N-fluorobenzene-sulfonimide, N-(benzenesulfonyl)-N-fluoro-benzenesulfonamide, N-fluoro benzene sulfonimide, n-fluorodibenzene sulfonamide, SCHEMBL121410, cid_588007, CHEMBL1338788, BDBM80338, RLKHFSNWQCZBDC-UHFFFAOYSA-, N-fluoro-bis(phenylsulfonyl)amine, N-fluorodi(benzenesulfonyl)-amine, HMS3059D10, N-fluoro-di(benzenesulfonyl)-amine, N-besyl-N-fluoro-benzenesulfonamide, BCP00988, CS-D1051, n-fluoro-bis (phenylsulfonyl) amine, FD2002, AKOS005254552, AC-1252, GS-3616, SB40754, ST080690, SY001955, N-fluoro-N-phenylsulfonylbenzenesulfonamide, N-benzenesulfonyl-N-fluorobenzenesulfonamide, F0335, NS00005118, EN300-56237, N-fluoro-N-(phenylsulfonyl)benzene-sulfonamide, A26032, N-fluoranyl-N-(phenylsulfonyl)benzenesulfonamide, N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide #, AN-584/43417535, Q27256818, F0001-0448, N-Fluorobis(phenylsulfonyl)amine;N-fluorodibenzenesulfonamide;N-Fluorodibenzenesulfonimide, InChI=1/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H

Application

N-Fluorobenzenesulfonimide is primarily used as an electrophilic fluorinating agent in organic synthesis, enabling the introduction of fluorine into aromatic and heteroaromatic compounds. It is particularly valuable in pharmaceutical research for the synthesis of fluorinated analogs of bioactive molecules. The reagent is also employed in materials science for modifying polymer properties and in agrochemical development to enhance compound stability and efficacy.

Safety and Hazards

GHS Hazard Statements

• H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (94.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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

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