≥97.0% 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 | C1=C(C=C(C(=C1F)S(=O)(=O)Cl)Br)F |
|---|---|
| IUPAC Name | 2-bromo-4,6-difluorobenzenesulfonyl chloride |
| InChIKey | LBDIILUAEZRJMW-UHFFFAOYSA-N |
| INCHI | 1S/C6H2BrClF2O2S/c7-4-1-3(9)2-5(10)6(4)13(8,11)12/h1-2H |
| Isomeric SMILES | C1=C(C=C(C(=C1F)S(=O)(=O)Cl)Br)F |
| WGK Germany | 3 |
| PubChem CID | 2778863 |
| Molecular Weight | 291.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Benzenesulfonyl halides |
| Direct Parent | Benzenesulfonyl chlorides |
| Alternative Parents | Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl chloride - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organohalogen compound - Organic oxide - Organic oxygen compound - Organobromide - Organofluoride - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonyl chlorides. These are aromatic compounds containing a benzenesulfonyl group, where the sulfonyl moiety is singly boned to a chloride atom. |
| External Descriptors | Not available |
| Flash Point(°F) | 235.4 °F |
|---|---|
| Flash Point(°C) | 113 °C |
| Molecular Weight | 291.500 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 289.862 Da |
| Monoisotopic Mass | 289.862 Da |
| Topological Polar Surface Area | 42.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| 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 |
