Description
5-Nitro-2-((trifluoromethyl)thio)isoindoline-1,3-dione (CAS No. 1835716-51-2) is a high-purity specialty chemical with the molecular formula C9H3F3N2O4S. This compound features a nitro-substituted isoindoline-1,3-dione core modified with a trifluoromethylthio group, offering unique reactivity and electronic properties. It is an ideal building block for pharmaceutical research, agrochemical development, and advanced material science applications. The compound is supplied as a crystalline solid with >95% purity (HPLC) and is rigorously tested for consistency, stability, and trace impurities. Store under inert conditions at 2-8°C to maintain optimal stability.
Properties
- CAS Number: 1835716-51-2
- Complexity: 436
- IUPAC Name: 5-nitro-2-(trifluoromethylsulfanyl)isoindoline-1,3-dione
- InChI: InChI=1S/C9H3F3N2O4S/c10-9(11,12)19-13-7(15)5-2-1-4(14(17)18)3-6(5)8(13)16/h1-3H
- InChI Key: HQPQGTJOVYHXQD-UHFFFAOYSA-N
- Exact Mass: 291.97656224
- Molecular Formula: C9H3F3N2O4S
- Molecular Weight: 292.19
- SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)SC(F)(F)F
- Topological: 109
- Monoisotopic Mass: 291.97656224
- Synonyms: 5-Nitro-2-((trifluoromethyl)thio)isoindoline-1,3-dione, 1835716-51-2, 2-(Trifluoromethylthio)-5-nitroisoindoline-1,3-dione, SCHEMBL28061759, HQPQGTJOVYHXQD-UHFFFAOYSA-N, MFCD34646214, 4-nitro-N-(trifluoromethylsulfanyl)phthalimide, F84207
Application
This compound serves as a versatile intermediate in the synthesis of bioactive molecules, particularly in the development of trifluoromethylthio-containing pharmaceuticals. Its electron-withdrawing nitro and trifluoromethylthio groups make it valuable for designing enzyme inhibitors or agrochemical active ingredients. Researchers also utilize it in material science for creating fluorinated polymers with enhanced thermal and chemical resistance.
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