| Sonrisas canónicas | CC1=CC(=C(C=C1)OC)I |
|---|---|
| IUPAC Name | 2-iodo-1-methoxy-4-methylbenzene |
| InChIKey | OASGOCIPNQWXLR-UHFFFAOYSA-N |
| INCHI | 1S/C8H9IO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3 |
| Isómeros SMILES | CC1=CC(=C(C=C1)OC)I |
| Peso molecular | 248.06 |
| Reaxy-Rn | 3126237 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3126237&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 | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Toluenes Iodobenzenes Alkyl aryl ethers Aryl iodides Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Iodobenzene - Toluene - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Ether - Organohalogen compound - Organic oxygen compound - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 G2524383 | Certificate of Analysis | Feb 18, 2025 | I357171 |
| G2524390 | Certificate of Analysis | Feb 18, 2025 | I357171 |
| G2524391 | Certificate of Analysis | Feb 18, 2025 | I357171 |
| G2524392 | Certificate of Analysis | Feb 18, 2025 | I357171 |
| Sensibilidad | light sensitive |
|---|---|
| Punto de ebullición (°C) | 257.6° C at 760 mmHg (Predicted) |
| Punto de fusión (°C) | 28-30° C |
| Peso molecular | 248.060 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 247.97 Da |
| Monoisotopic Mass | 247.97 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 105.000 |
| 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 |
