≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
2,4,6-Trichloroanisole (TCA) is responsible for the cork taint in wines. TCA has been quantitated in bark cork stoppers by supercritical fluid extraction (SFE) method. Degradation of TCA catalyzed by raw bauxite via ozonation in water has been investigated.
| Pubchem Sid | 504751194 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751194 |
| Canonical Smiles | COC1=C(C=C(C=C1Cl)Cl)Cl |
| IUPAC Name | 1,3,5-trichloro-2-methoxybenzene |
| InChIKey | WCVOGSZTONGSQY-UHFFFAOYSA-N |
| INCHI | 1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3 |
| Isomeric SMILES | COC1=C(C=C(C=C1Cl)Cl)Cl |
| WGK Germany | 3 |
| PubChem CID | 6884 |
| Molecular Weight | 211.47 |
| Reaxy-Rn | 2329219 |
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 |
| Class | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Ether - Organohalogen compound - Organic oxygen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | 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 | a small molecule |
| Solubility | solubility : benzene: soluble(lit.); cyclohexanone: soluble(lit.); dioxane: soluble(lit.); methanol: soluble(lit.); water: insoluble (practically)(lit.); |
|---|---|
| Boil Point(°C) | 132 °C/28 mmHg |
| Melt Point(°C) | 60-62°C |
| Molecular Weight | 211.500 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 209.941 Da |
| Monoisotopic Mass | 209.941 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 119.000 |
| 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 |
A2113274