≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
A derivatizing agent for amines and phenols. Fluorescence is produced in alkaline solution or in the presence of ∫-CD (1), (2)
An amine and phenol derivatizing agent
| Canonical Smiles | C1=CC2=C(C=CC(=O)O2)C=C1S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 2-oxochromene-6-sulfonyl chloride |
| InChIKey | HQIPMBGUDSOVEA-UHFFFAOYSA-N |
| INCHI | 1S/C9H5ClO4S/c10-15(12,13)7-2-3-8-6(5-7)1-4-9(11)14-8/h1-5H |
| Isomeric SMILES | C1=CC2=C(C=CC(=O)O2)C=C1S(=O)(=O)Cl |
| Molecular Weight | 244.65 |
| Beilstein | 196167 |
| Reaxy-Rn | 196167 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=196167&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 | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | 1-benzopyrans Pyranones and derivatives Benzenoids Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactone - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| 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 |
|---|---|---|---|
 L2431015 | Certificate of Analysis | Jan 04, 2025 | C120824 |
| B23081156 | Certificate of Analysis | Feb 15, 2023 | C120824 |
| B23081157 | Certificate of Analysis | Feb 15, 2023 | C120824 |
| E2114317 | Certificate of Analysis | Feb 10, 2023 | C120824 |
| F1928107 | Certificate of Analysis | Jan 05, 2023 | C120824 |
| Sensitivity | Moisture Sensitive |
|---|---|
| Molecular Weight | 244.650 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 243.96 Da |
| Monoisotopic Mass | 243.96 Da |
| Topological Polar Surface Area | 68.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 395.000 |
| 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. Jiajun Chen, Yunxi Cui, Peixuan Wu, Rohan Dassanayake, Peng Yu, Kun Fu, Zhicheng Sun, Yuanyuan Liu, Yang Zhou. (2024) Nitroxyl donating and visualization with a coumarin-based fluorescence probe. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:38692102] [10.1016/j.saa.2024.124317] |
