Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% 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.
Description
Useful in catalytic asymmetric sulfoxidation of alkyl aryl sulfides and in the kinetic resolution of alkyl aryl sulfoxides.
| Sonrisas canónicas | CC(C)(C)C(CO)N=CC1=C(C(=CC(=C1)I)I)O |
|---|---|
| IUPAC Name | 2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-4,6-diiodophenol |
| InChIKey | WVBNUUNXQNMMOB-LLVKDONJSA-N |
| INCHI | 1S/C13H17I2NO2/c1-13(2,3)11(7-17)16-6-8-4-9(14)5-10(15)12(8)18/h4-6,11,17-18H,7H2,1-3H3/t11-/m1/s1 |
| Isómeros SMILES | CC(C)(C)[C@@H](CO)N=CC1=C(C(=CC(=C1)I)I)O |
| WGK Alemania | 3 |
| PubChem CID | 135440419 |
| Peso molecular | 473.09 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenols |
| Subclass | Halophenols |
| Intermediate Tree Nodes | Iodophenols |
| Direct Parent | P-iodophenols |
| Alternative Parents | O-iodophenols Iodobenzenes Vinyl iodides Propargyl-type 1,3-dipolar organic compounds Iodoalkenes Aldimines Organopnictogen compounds Organoiodides Hydrocarbon derivatives Alcohols and polyols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 4-iodophenol - 2-iodophenol - Iodobenzene - Halobenzene - Monocyclic benzene moiety - Iodoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Imine - Alcohol - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as p-iodophenols. These are iodophenols carrying a iodine at the C4 position of the benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 473.090 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 472.935 Da |
| Monoisotopic Mass | 472.935 Da |
| Topological Polar Surface Area | 52.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 291.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |