≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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 | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)Cl)Cl |
|---|---|
| InChIKey | CLCPHXRHYYEUME-UHFFFAOYSA-N |
| INCHI | 1S/C8H6Cl2O3S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3 |
| Isomeric SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)Cl)Cl |
| Molecular Weight | 253.10 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | 2-halobenzoic acids and derivatives |
| Alternative Parents | Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Sulfones Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2-halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Sulfonyl - Sulfone - Acyl halide - Acyl chloride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 253.100 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 251.941 Da |
| Monoisotopic Mass | 251.941 Da |
| Topological Polar Surface Area | 59.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 320.000 |
| 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 |
