≥98%(GC) 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.
| Pubchem Sid | 504754235 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754235 |
| Canonical Smiles | CS(=O)(=O)C1=CC=C(C=C1)F |
| IUPAC Name | 1-fluoro-4-methylsulfonylbenzene |
| InChIKey | DPJHZJGAGIWXTD-UHFFFAOYSA-N |
| INCHI | 1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3 |
| Isomeric SMILES | CS(=O)(=O)C1=CC=C(C=C1)F |
| WGK Germany | 3 |
| Molecular Weight | 174.19 |
| Beilstein | 6(4)1567 |
| Reaxy-Rn | 2045674 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045674&ln= |
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 | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Fluorobenzenes Aryl fluorides Sulfones Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2429045 | Certificate of Analysis | Jun 24, 2024 | F156692 |
| L2425293 | Certificate of Analysis | Jun 24, 2024 | F156692 |
| E2026120 | Certificate of Analysis | Mar 12, 2024 | F156692 |
| G2315438 | Certificate of Analysis | Jul 27, 2023 | F156692 |
| L2216456 | Certificate of Analysis | Dec 23, 2022 | F156692 |
| Melt Point(°C) | 80 °C |
|---|---|
| Molecular Weight | 174.190 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 174.015 Da |
| Monoisotopic Mass | 174.015 Da |
| Topological Polar Surface Area | 42.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| 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 |
