Description

2-[(Furan-2-ylcarbonyl)oxy]-1H-isoindole-1,3(2H)-dione (CAS No. 63591-87-7) is a high-purity heterocyclic organic compound with the molecular formula C₁₃H₇NO₅. This specialized chemical, also known by its IUPAC name (1,3-dioxoisoindol-2-yl) furan-2-carboxylate, features a unique molecular structure combining isoindole-1,3-dione and furan-2-carboxylate moieties. Its precise molecular weight of 257.20 g/mol and well-defined structural properties make it valuable for advanced research applications. The compound is supplied as a crystalline solid with ≥95% purity (HPLC), rigorously tested for consistency and quality. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability. This product is intended for research purposes only and is not for human or veterinary use.

Properties

• CAS Number: 63591-87-7
• Complexity: 397
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) furan-2-carboxylate
• InChI: InChI=1S/C13H7NO5/c15-11-8-4-1-2-5-9(8)12(16)14(11)19-13(17)10-6-3-7-18-10/h1-7H
• InChI Key: WMXZGHUSXJBNNS-UHFFFAOYSA-N
• Exact Mass: 257.03242232
• Molecular Formula: C13H7NO5
• Molecular Weight: 257.20
• SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)C3=CC=CO3
• Topological: 76.8
• Monoisotopic Mass: 257.03242232
• Synonyms: 63591-87-7, 2-[(furan-2-ylcarbonyl)oxy]-1H-isoindole-1,3(2H)-dione, 1,3-Dioxoisoindolin-2-yl furan-2-carboxylate, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl furan-2-carboxylate, ChemDiv3_004207, (1,3-dioxoisoindol-2-yl) furan-2-carboxylate, WMXZGHUSXJBNNS-UHFFFAOYSA-N, HMS1484P05, STK223457, AKOS001665559, IDI1_022117, CS-0270607, EN300-6513170, SR-01000504848, SR-01000504848-1, BRD-K34474375-001-01-7, 1H-Isoindole-1,3(2H)-dione, 2-[(2-furanylcarbonyl)oxy]-

Application

This compound serves as a versatile building block in organic synthesis, particularly in the development of novel heterocyclic frameworks. Researchers utilize it in medicinal chemistry for the design of potential pharmacophores targeting various biological pathways. Its unique structure makes it valuable in materials science for creating specialized polymers with tailored properties. The furan and phthalimide components offer opportunities for further functionalization in synthetic applications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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