≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Sorrisos canónicos | CC(=C)C(=O)OCCOC(=O)C1=C(C(=CC(=C1)I)I)I |
|---|---|
| IUPAC Name | 2-(2-methylprop-2-enoyloxy)ethyl 2,3,5-triiodobenzoate |
| InChIKey | NULXFDVOMMITJV-UHFFFAOYSA-N |
| INCHI | 1S/C13H11I3O4/c1-7(2)12(17)19-3-4-20-13(18)9-5-8(14)6-10(15)11(9)16/h5-6H,1,3-4H2,2H3 |
| SMILES isoméricas | CC(=C)C(=O)OCCOC(=O)C1=C(C(=CC(=C1)I)I)I |
| CAS alternativo | 161042-10-0 |
| PubChem CID | 127920 |
| Termos de entrada MeSH | 2-(2',3',5'-triiodobenzoyl)ethyl methacrylate;2-methacryloyloxyethyl(2,3,5-triiodobenzoate);3IBzEt-methacrylate |
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 | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Iodobenzenes Dicarboxylic acids and derivatives Aryl iodides Vinylogous halides Enoate esters Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Iodobenzene - Halobenzene - Aryl halide - Aryl iodide - Dicarboxylic acid or derivatives - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organohalogen compound - Organoiodide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
| Peso molecular | 611.940 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 611.779 Da |
| Monoisotopic Mass | 611.779 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 386.000 |
| 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 |
