Atomfair N-(Trifluoromethylthio)phthalimide C9H4F3NO2S CAS 719-98-2

Description

N-(Trifluoromethylthio)phthalimide (CAS No. 719-98-2) is a high-purity organofluorine compound with the molecular formula C₉H₄F₃NO₂S. This specialized reagent is widely used in organic synthesis, particularly as a versatile trifluoromethylthiolating agent. The compound features a phthalimide scaffold with a reactive trifluoromethylthio (-SCF₃) group, making it valuable for introducing the SCF₃ moiety into target molecules. With a molecular weight of 247.19 g/mol, it appears as a white to off-white crystalline powder under standard conditions. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is packaged under inert atmosphere to guarantee stability. Suitable for research in medicinal chemistry, agrochemical development, and materials science.

Properties

• CAS Number: 719-98-2
• Complexity: 307
• IUPAC Name: 2-(trifluoromethylsulfanyl)isoindoline-1,3-dione
• InChI: InChI=1S/C9H4F3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
• InChI Key: CFNSRIIHFLPQCE-UHFFFAOYSA-N
• Exact Mass: 246.99148403
• Molecular Formula: C9H4F3NO2S
• Molecular Weight: 247.20
• SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)SC(F)(F)F
• Topological: 62.7
• Monoisotopic Mass: 246.99148403
• Synonyms: N-(trifluoromethylthio)phthalimide, 719-98-2, 808-179-4, 2-(trifluoromethylsulfanyl)isoindole-1,3-dione, MFCD18449627, 2-((trifluoromethyl)thio)isoindoline-1,3-dione, 2-[(trifluoromethyl)sulfanyl]-2,3-dihydro-1H-isoindole-1,3-dione, 2-[(Trifluoromethyl)thio]isoindoline-1,3-dione, SCHEMBL6643798, N-(Trfluoromethylthio)phthalimide, CFNSRIIHFLPQCE-UHFFFAOYSA-N, AKOS025402736, SB66099, AS-61801, SY056397, CS-0145630, T3143, 2-((Trifluoromethyl)thio)isoindolin-1,3-dion, T72876

Application

N-(Trifluoromethylthio)phthalimide serves as a key reagent for electrophilic trifluoromethylthiolation reactions in organic synthesis. It enables efficient introduction of the SCF₃ group into various substrates including arenes, heteroarenes, and carbonyl compounds. The compound finds particular utility in pharmaceutical research where the trifluoromethylthio group can enhance metabolic stability and lipophilicity of drug candidates. It’s also employed in the development of advanced materials with unique electronic properties. The reagent demonstrates excellent reactivity under mild conditions, making it valuable for constructing complex molecules.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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