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Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| ALogP | 4.6 |
|---|
| Canonical Smiles | C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI |
|---|---|
| IUPAC Name | 1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)benzene |
| InChIKey | CTETYYAZBPJBHE-UHFFFAOYSA-N |
| INCHI | 1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2 |
| Isomeric SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI |
| Molecular Weight | 361.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Haloacetylenes and derivatives Organoiodides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ether - Haloacetylene or derivatives - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organoiodide - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Sensitivity | light sensitive |
|---|---|
| Melt Point(°C) | 113 °C |
| Molecular Weight | 361.400 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 359.837 Da |
| Monoisotopic Mass | 359.837 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 247.000 |
| 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 |
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