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Basic Description
| Synonyms | 3-(METHYLSULFONYL)BENZENESULFONYL CHLORIDE | 5335-40-0 | 3-methylsulfonylbenzenesulfonyl chloride | 3-(methylsulphonyl)benzenesulphonyl chloride | 3-(methylsulfonyl)benzenesulfonylchloride | MFCD04037968 | 3-(Methylsulfonyl)phenylsulfonyl chloride | 3-methanesulfonylbe |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonyl compounds
- Level5 Benzenesulfonyl halides
- Level6 Benzenesulfonyl chlorides
- Level5 Benzenesulfonyl halides
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Subclass
Benzenesulfonyl compounds
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Benzenesulfonyl halides |
| Direct Parent | Benzenesulfonyl chlorides |
| Alternative Parents | Sulfonyl chlorides Sulfones Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl chloride - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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 |
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Names and Identifiers
| Pubchem Sid | 488188661 |
|---|---|
| IUPAC Name | 3-methylsulfonylbenzenesulfonyl chloride |
| INCHI | InChI=1S/C7H7ClO4S2/c1-13(9,10)6-3-2-4-7(5-6)14(8,11)12/h2-5H,1H3 |
| InChIKey | CQEFJGDLGWJIRV-UHFFFAOYSA-N |
| Smiles | CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)Cl |
| Isomeric SMILES | CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)Cl |
| Molecular Weight | 254.7 |
| Reaxy-Rn | 2118336 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2118336&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2327768 |
Certificate of Analysis | Aug 17, 2022 | M185037 |
| B2327774 |
Certificate of Analysis | Aug 17, 2022 | M185037 |
| B2327804 |
Certificate of Analysis | Aug 17, 2022 | M185037 |
| B2327777 |
Certificate of Analysis | Aug 17, 2022 | M185037 |
Chemical and Physical Properties
| Molecular Weight | 254.700 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 253.947 Da |
| Monoisotopic Mass | 253.947 Da |
| Topological Polar Surface Area | 85.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 386.000 |
| 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 |
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