Description

5-Isobenzofurancarboxylic acid, octahydro-1,3-dioxo- (CAS No. 53611-01-1) is a high-purity cyclic anhydride derivative with the molecular formula C₉H₁₀O₅. This compound, also known by its IUPAC name 1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxylic acid, is a versatile intermediate in organic synthesis and pharmaceutical research. Its unique bicyclic structure, featuring a fused furan ring and carboxylic acid functionality, makes it valuable for the development of specialty polymers, resins, and fine chemicals. Available in crystalline form, this product is rigorously tested for purity and consistency, ensuring optimal performance in demanding laboratory and industrial applications. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 53611-01-1
• Complexity: 308
• IUPAC Name: 1,3-dioxo-3a,4,5,6,7,7a-hexahydroisobenzofuran-5-carboxylic acid
• InChI: InChI=1S/C9H10O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h4-6H,1-3H2,(H,10,11)
• InChI Key: FWHUTKPMCKSUCV-UHFFFAOYSA-N
• Exact Mass: 198.05282342
• Molecular Formula: C9H10O5
• Molecular Weight: 198.17
• SMILES: C1CC2C(CC1C(=O)O)C(=O)OC2=O
• Topological: 80.7
• Monoisotopic Mass: 198.05282342
• Synonyms: 5-Isobenzofurancarboxylic acid, octahydro-1,3-dioxo-, 800-369-5, 53611-01-1, 1,3-Dioxooctahydroisobenzofuran-5-carboxylic acid, 1,2,4-Cyclohexanetricarboxylic acid-1,2- anhydride, 1,2,4-cyclohexanetricarboxylic anhydride, cyclohexane-1,2,4-tricarboxylic acid-1,2-anhydride, SCHEMBL169048, DTXSID001347235, MFCD20640480, DA-42160, SY352175, cyclohexane-1,2,4-tricarboxylic-1,2-anhydride, cyclohexane-1,3,4-tricarboxylic 3,4-anhydride, 1,3-Dioxooctahydroisobenzofuran-5-carboxylicacid, 1,2,4-cyclohexanetricarboxylic acid 1,2-anhydride, 1,2,4-cyclohexanetricarboxylic acid-1,2-anhydride, 1, 2, 4-Cyclohexanetricarboxylic acid-1, 2- anhydride

Application

This compound serves as a key intermediate in the synthesis of advanced polymers and epoxy resins, where its anhydride group enables cross-linking reactions. Researchers also utilize it in pharmaceutical development for constructing complex heterocyclic scaffolds. Its carboxylic acid functionality allows for further derivatization, making it useful in materials science and catalysis studies.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P261, P264, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Skin Sens. 1 (100%)
• Eye Dam. 1 (100%)

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