analytical standard Analytical standard 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl |
|---|---|
| IUPAC Name | 1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene |
| InChIKey | MLGCXEBRWGEOQX-UHFFFAOYSA-N |
| INCHI | 1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H |
| Isomeric SMILES | C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl |
| WGK Germany | 3 |
| RTECS | WR5850000 |
| PubChem CID | 8305 |
| UN Number | 3077 |
| Molecular Weight | 356.05 |
| Beilstein | 2292528 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Chlorobenzenes Aryl chlorides Sulfones Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Acaricides |
| Boil Point(°C) | 414°C |
|---|---|
| Melt Point(°C) | 146.5-147.5°C |
| Molecular Weight | 356.000 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 355.881 Da |
| Monoisotopic Mass | 353.884 Da |
| Topological Polar Surface Area | 42.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 400.000 |
| 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 |
| 1. Heming Wang, Shan Cheng, Jingyao Feng, Qingguang Bao, Jiangang Liu, Bing Wang, Binlin Jiang, Zaiyu Wang, Nan Li, Xigao Jian. (2024) Preparation of a water-based carboxylated Poly(phthalazione ether nitrile) sizing agent for interfacial reinforcement of CF/PPESK composites. COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING, [PMID:] [10.1016/j.compositesa.2024.108091] |
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