Description

Sulfamoyl fluoride, N,N-dimethyl- (CAS No. 354-44-9) is a highly specialized organosulfur compound with the molecular formula C₂H₆FNO₂S. This fluorinated sulfonamide derivative is a valuable reagent in synthetic organic chemistry, particularly in the development of sulfonamide-based pharmaceuticals and agrochemicals. Its IUPAC name, N,N-dimethylsulfamoyl fluoride, reflects its structural features: a sulfamoyl backbone with two methyl groups and a reactive fluoride substituent. The compound is typically supplied as a high-purity liquid or solid, with rigorous quality control to ensure consistency for research applications. Researchers utilize this chemical for its ability to introduce the dimethylsulfamoyl moiety into target molecules, making it useful for medicinal chemistry and material science applications. Proper handling under inert atmosphere is recommended due to its moisture sensitivity.

Properties

• CAS Number: 354-44-9
• Complexity: 132
• IUPAC Name: N,N-dimethylsulfamoyl fluoride
• InChI: InChI=1S/C2H6FNO2S/c1-4(2)7(3,5)6/h1-2H3
• InChI Key: NNOYMOQFZUUTHQ-UHFFFAOYSA-N
• Exact Mass: 127.01032777
• Molecular Formula: C2H6FNO2S
• Molecular Weight: 127.14
• SMILES: CN(C)S(=O)(=O)F
• Topological: 45.8
• Monoisotopic Mass: 127.01032777
• Synonyms: Dimethylsulfamoyl fluoride, N,N-dimethylsulfamoyl fluoride, 354-44-9, Sulfamoyl fluoride, N,N-dimethyl-, Sulfamoyl fluoride, dimethyl-, N,N-Dimethylsulfamyl fluoride, Sulfamyl fluoride, N,N-dimethyl-, BRN 1751157, DTXSID60188878, DTXCID20111369, 844-992-0, N,N-dimethylsulfamoylfluoride, C2H6FNO2S, SCHEMBL7913897, MFCD01683123, AKOS006283287, ES-2161, CS-0526924, EN300-75797, E78513

Application

N,N-dimethylsulfamoyl fluoride serves as a key intermediate in the synthesis of biologically active sulfonamide compounds. It is employed in pharmaceutical research for developing enzyme inhibitors that target carbonic anhydrases and other metalloenzymes. The compound’s reactivity with nucleophiles makes it valuable for creating sulfamoyl-containing analogs in drug discovery programs. Additionally, it finds use in materials science for modifying polymer properties through sulfamoylation reactions.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (50%): Causes serious eye damage [Danger 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, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 3 (50%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (50%)
• STOT SE 3 (50%)

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