Description

1,3-Isobenzofurandione, 5-(2-phenylethynyl)- (CAS No. 119389-05-8) is a high-purity aromatic anhydride compound with the molecular formula C₁₆H₈O₃. This specialized chemical, also known as 4-Phenylethynylphthalic Anhydride, is a key intermediate in advanced polymer synthesis and materials science research. The compound features a reactive anhydride group conjugated with a phenylethynyl moiety, making it particularly valuable for crosslinking reactions and high-performance polymer applications. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a fine, off-white to pale yellow crystalline powder. Ideal for use in thermoset resins, polyimides, and other high-temperature materials, this anhydride offers excellent thermal stability and reactivity. Each batch is accompanied by comprehensive analytical data including NMR, FTIR, and MS spectra for quality verification.

Properties

• CAS Number: 119389-05-8
• Complexity: 447
• IUPAC Name: 5-(2-phenylethynyl)isobenzofuran-1,3-dione
• InChI: InChI=1S/C16H8O3/c17-15-13-9-8-12(10-14(13)16(18)19-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H
• InChI Key: UPGRRPUXXWPEMV-UHFFFAOYSA-N
• Exact Mass: 248.047344113
• Molecular Formula: C16H8O3
• Molecular Weight: 248.23
• SMILES: C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)OC3=O
• Topological: 43.4
• Monoisotopic Mass: 248.047344113
• Synonyms: 4-Phenylethynylphthalic Anhydride, 4-(Phenylethynyl)phthalic anhydride, 1,3-Isobenzofurandione, 5-(2-phenylethynyl)-, 601-604-2, 119389-05-8, 5-(Phenylethynyl)isobenzofuran-1,3-dione, 1,3-Isobenzofurandione, 5-(phenylethynyl)-, 5-(2-phenylethynyl)-2-benzofuran-1,3-dione, MFCD10574892, 4-phenylethynyl phthalic anhydride, 5-(2-phenylethynyl)-1,3-dihydro-2-benzofuran-1,3-dione, 4-Phenylethynylphthalic anhydride (PEPA), 5-(2-phenylethynyl)isobenzofuran-1,3-dione, 4-Pheneylethynylphthalic anhydride, C16H8O3, 4-(2-Phenylethynyl)phthalic Anhydride, 4-Phenylethynyl phthalic anhydride (4-PEPA), 5-(2-Phenylethynyl)-1,3-isobenzofurandione, SCHEMBL72823, 4-phenylethynylphthalicanhydride, DTXSID6074386, AKOS015840573, AS-20102, SY055007, CS-0156579, NS00020374, P1437, 3-Phenylethynylphthalic anhydride;4-(Phenylethynyl)isobenzofuran-1,3-dione

Application

This compound serves as a critical monomer in the synthesis of thermally stable polyimides and epoxy resins, particularly for aerospace and electronics applications. The phenylethynyl group enables crosslinking upon heating, enhancing mechanical properties and thermal resistance in cured polymers. Researchers utilize it to develop advanced composite materials with improved processability and end-use performance at elevated temperatures. It’s also investigated as a building block for organic semiconductors and optoelectronic materials due to its conjugated structure.

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]
• H335 (85.7%): 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 (85.7%)

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