≥98 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C2C(=C1)C(=O)OC2=O |
|---|---|
| IUPAC Name | 4,5,6,7-tetradeuterio-2-benzofuran-1,3-dione |
| InChIKey | LGRFSURHDFAFJT-RHQRLBAQSA-N |
| INCHI | 1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H/i1D,2D,3D,4D |
| Isomeric SMILES | [2H]C1=C(C(=C2C(=C1[2H])C(=O)OC2=O)[2H])[2H] |
| Reaxy-Rn | 118515 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118515&ln= |
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 | Benzofurans |
| Subclass | Benzofuranones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phthalic anhydrides |
| Alternative Parents | Isobenzofuranones Isobenzofurans Dicarboxylic acids and derivatives Benzenoids Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Isobenzofuran - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione. |
| External Descriptors | Not available |
| Molecular Weight | 152.140 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.041 Da |
| Monoisotopic Mass | 152.041 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 187.000 |
| Isotope Atom Count | 4 |
| 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 |
