≥95% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC1=C(C(=C(C(=C1F)F)S(=O)(=O)Cl)F)F |
|---|---|
| IUPAC Name | 2,3,5,6-tetrafluoro-4-methoxybenzenesulfonyl chloride |
| InChIKey | BHLCFDPXMFGGOH-UHFFFAOYSA-N |
| INCHI | 1S/C7H3ClF4O3S/c1-15-6-2(9)4(11)7(16(8,13)14)5(12)3(6)10/h1H3 |
| Isomeric SMILES | COC1=C(C(=C(C(=C1F)F)S(=O)(=O)Cl)F)F |
| Alternate CAS | 40586-69-4 |
| PubChem CID | 4961877 |
| Molecular Weight | 278.61 |
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 | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Benzenesulfonyl halides |
| Direct Parent | Benzenesulfonyl chlorides |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl chloride - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aryl fluoride - Aryl halide - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organohalogen compound - Organic oxide - Organofluoride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - 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 |
| Molecular Weight | 278.610 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 277.943 Da |
| Monoisotopic Mass | 277.943 Da |
| Topological Polar Surface Area | 51.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 330.000 |
| 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 |
