≥98% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488185441 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185441 |
| Canonical Smiles | CS(=O)(=O)C1=CC=C(C=C1)C(=O)O |
| IUPAC Name | 4-methylsulfonylbenzoic acid |
| InChIKey | AJBWNNKDUMXZLM-UHFFFAOYSA-N |
| INCHI | 1S/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| Isomeric SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 200.21 |
| Beilstein | 10(4)499 |
| Reaxy-Rn | 514493 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=514493&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 | Benzoic acids Benzoyl derivatives Sulfones Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Sulfonyl - Sulfone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen 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 |
|---|---|---|---|
 L1803230 | Certificate of Analysis | Jun 15, 2026 | M158289 |
| L2209156 | Certificate of Analysis | Dec 27, 2022 | M158289 |
| D2320234 | Certificate of Analysis | Sep 21, 2022 | M158289 |
| D2320239 | Certificate of Analysis | Sep 21, 2022 | M158289 |
| D2320241 | Certificate of Analysis | Sep 21, 2022 | M158289 |
| D2320242 | Certificate of Analysis | Sep 21, 2022 | M158289 |
| Solubility | Soluble in Dimethylformamide |
|---|---|
| Melt Point(°C) | 265°C(lit.) |
| Molecular Weight | 200.210 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 200.014 Da |
| Monoisotopic Mass | 200.014 Da |
| Topological Polar Surface Area | 79.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| 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 |
| 1. Yingying Qian, Minggen Cheng, Lin Lai, Jing Zhou, Gerben J. Zylstra, Xing Huang. (2023) ChlOR, a GMC family oxidoreductase that evolved independently from the actinomycete, confers resistance to amphenicol antibiotics. ENVIRONMENTAL MICROBIOLOGY, [PMID:37648667] [10.1111/1462-2920.16493] |
| 2. Qiuqun Liang, Zheng Liu, Chuxin Liang, Guo-Cheng Han, Shufen Zhang, Xiao-Zhen Feng. (2023) Electrochemical Simultaneous Detection of Paracetamol and 4- aminophenol Based on bis-Schiff Base Cobalt Complex. International Journal of Electrochemical Science, [PMID:] [10.20964/2019.08.15] |
