≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated Ships FedEx DG Service Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CCC2=C(C1)C(=O)OC2=O |
|---|---|
| IUPAC Name | 4,5,6,7-tetrahydro-2-benzofuran-1,3-dione |
| InChIKey | HMMBJOWWRLZEMI-UHFFFAOYSA-N |
| INCHI | 1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2 |
| Isomeric SMILES | C1CCC2=C(C1)C(=O)OC2=O |
| PubChem CID | 12475 |
| UN Number | 2698 |
| Packing Group | III |
| Molecular Weight | 152.15 |
| Beilstein | 136335 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isobenzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isobenzofurans |
| Alternative Parents | Dicarboxylic acids and derivatives Butenolides Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Isobenzofuran - Dicarboxylic acid or derivatives - 2-furanone - Dihydrofuran - Carboxylic acid anhydride - Lactone - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2512513 | Certificate of Analysis | Jul 19, 2024 | T111155 |
| H2512518 | Certificate of Analysis | Jul 19, 2024 | T111155 |
| H2515637 | Certificate of Analysis | Jul 19, 2024 | T111155 |
| H2406528 | Certificate of Analysis | Apr 11, 2024 | T111155 |
| H2406529 | Certificate of Analysis | Apr 11, 2024 | T111155 |
| H2406530 | Certificate of Analysis | Apr 11, 2024 | T111155 |
| H2406526 | Certificate of Analysis | Apr 11, 2024 | T111155 |
| H2406527 | Certificate of Analysis | Apr 11, 2024 | T111155 |
| Sensitivity | Moisture sensitive. |
|---|---|
| Melt Point(°C) | 70-74℃ |
| Molecular Weight | 152.150 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.047 Da |
| Monoisotopic Mass | 152.047 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 237.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Li-Xia Zhao, Mao-Jun Jiang, Jia-Jun Hu, Yue-Li Zou, Shuang Gao, Ying Fu, Fei Ye. (2020) Herbicidal activity and molecular docking study of novel PPO inhibitors. WEED SCIENCE, 68 (6): (565-574). [PMID:] [10.1017/wsc.2020.66] |
| 2. M.R. Islam, M.D.H. Beg, S.S. Jamari. (2015) Dispersion of montmorillonite nanoclays and their effects on the thermomechanical, structural and drying properties of palm oil based coating. PROGRESS IN ORGANIC COATINGS, [PMID:] [10.1016/j.porgcoat.2015.11.015] |
| 3. Muhammad Remanul Islam, Mohammad Dalour Hossen Beg, Saidatul Shima Jamari. (2015) Characterization of multiwalled carbon nanotube filled, palm-oil-based polyalkyds: Effects of loading and in situ reaction. JOURNAL OF APPLIED POLYMER SCIENCE, 133 (5): [PMID:] [10.1002/app.42934] |
| 4. Islam Muhammad Remanul, Beg Mohammad Dalour Hossen, Jamari Saidatul Shima Binti. (2015) The effects of five different types of acid anhydrides and incorporation of montmorillonite nanoclays on thermosetting resins. POLYMER BULLETIN, 72 (11): (3007-3030). [PMID:] [10.1007/s00289-015-1450-0] |
