≥97% 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 | C1CC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 3-(cyclopropylcarbamoyl)benzenesulfonyl chloride |
| InChIKey | SSINZHMPWHVPHC-UHFFFAOYSA-N |
| INCHI | 1S/C10H10ClNO3S/c11-16(14,15)9-3-1-2-7(6-9)10(13)12-8-4-5-8/h1-3,6,8H,4-5H2,(H,12,13) |
| Isomeric SMILES | C1CC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)Cl |
| PubChem CID | 18072530 |
| Molecular Weight | 259.7 |
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 | Benzenesulfonyl halides |
| Direct Parent | Benzenesulfonyl chlorides |
| Alternative Parents | Benzamides Benzoyl derivatives Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Secondary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl chloride - Benzamide - Benzoic acid or derivatives - Benzoyl - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur 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 | 259.709 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 259.007 Da |
| Monoisotopic Mass | 259.007 Da |
| Topological Polar Surface Area | 71.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 372.000 |
| 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 |
