≥95% 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.
| Canonical Smiles | C1=C(C=C(C=C1Cl)Cl)C2=C3C(=CC(=C2)O)SC(=O)O3 |
|---|---|
| IUPAC Name | 7-(3,5-dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one |
| InChIKey | PHXDDGTXLDSRDN-UHFFFAOYSA-N |
| INCHI | 1S/C13H6Cl2O3S/c14-7-1-6(2-8(15)3-7)10-4-9(16)5-11-12(10)18-13(17)19-11/h1-5,16H |
| Molecular Weight | 313.2 |
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 | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Heteroaromatic compounds Organic thiocarbonic acid derivatives Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-dichlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiocarbonic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
| Molecular Weight | 313.200 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 311.941 Da |
| Monoisotopic Mass | 311.941 Da |
| Topological Polar Surface Area | 71.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 358.000 |
| 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 |
