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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(C(=CC(=C1I)O)I)O |
|---|---|
| IUPAC Name | 2,5-diiodobenzene-1,4-diol |
| InChIKey | XDLGDTUOWIFMQC-UHFFFAOYSA-N |
| INCHI | 1S/C6H4I2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H |
| Isomeric SMILES | C1=C(C(=CC(=C1I)O)I)O |
| Molecular Weight | 361.90 |
| Reaxy-Rn | 7368664 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7368664&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | 1,4-dihydroxy-2-halobenzenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,4-dihydroxy-2-halobenzenoids |
| Alternative Parents | O-iodophenols M-iodophenols Hydroquinones Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Organooxygen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1,4-dihydroxy-2-halobenzenoid - 3-halophenol - 2-halophenol - Hydroquinone - 3-iodophenol - 2-iodophenol - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Iodobenzene - Aryl iodide - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,4-dihydroxy-2-halobenzenoids. These are aromatic compounds containing a 1,-2-dihydroxybenzene moiety, which carries an halogen atom at the ring 2-position. |
| External Descriptors | Not available |
| Melt Point(°C) | 200 °C |
|---|---|
| Molecular Weight | 361.900 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 361.83 Da |
| Monoisotopic Mass | 361.83 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 106.000 |
| 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 |