≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756220 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756220 |
| Canonical Smiles | C1=CC=C2C(=C1)C3(C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O)OS2(=O)=O |
| IUPAC Name | 1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol |
| InChIKey | KUQNCHZOCSYKOR-UHFFFAOYSA-N |
| INCHI | 1S/C19H12O8S/c20-12-7-5-10-17(15(12)22)26-18-11(6-8-13(21)16(18)23)19(10)9-3-1-2-4-14(9)28(24,25)27-19/h1-8,20-23H |
| Isomeric SMILES | C1=CC=C2C(=C1)C3(C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O)OS2(=O)=O |
| PubChem CID | 94437 |
| Molecular Weight | 400.36 |
| Beilstein | 19407 |
| Reaxy-Rn | 363738 |
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 | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Dibenzopyrans |
| Direct Parent | Xanthenes |
| Alternative Parents | Diarylethers Phthalides Benzofuranones Benzoxathioles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthene - Diaryl ether - Benzofuranone - Phthalide - Benzoxathiole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Oxacycle - Polyol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. |
| 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 |
|---|---|---|---|
 A2606019 | Certificate of Analysis | Jan 12, 2026 | P169580 |
| K2527193 | Certificate of Analysis | Dec 09, 2025 | P169580 |
| H2203564 | Certificate of Analysis | May 07, 2025 | P169580 |
| H2203565 | Certificate of Analysis | May 07, 2025 | P169580 |
| J2113236 | Certificate of Analysis | Jul 10, 2024 | P169580 |
| J2113256 | Certificate of Analysis | Jul 10, 2024 | P169580 |
| Solubility | Soluble in water, ammonium hydroxide (10 mg/ml), and ethanol. |
|---|---|
| Sensitivity | Moisture sensitive. |
| Melt Point(°C) | ≥300 °C |
| Molecular Weight | 400.400 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 0 |
| Exact Mass | 400.025 Da |
| Monoisotopic Mass | 400.025 Da |
| Topological Polar Surface Area | 142.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 690.000 |
| 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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| 2. Yanmei Zhu, Fushuang Xiang, Yuanyuan Su, Xue Jiang, Yipeng Cang, Wanjun Long, Wei Lan, Gaoqiong Deng, Hengye Chen, Yuanbin She, Haiyan Fu. (2023) Authenticity identification of high – Temperature Daqu Baijiu through multi-channel visual array sensor of organic dyes combined with smart phone App. FOOD CHEMISTRY, [PMID:37979267] [10.1016/j.foodchem.2023.137980] |
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| 5. Yuanqing Niu, Hengrui Chang, Jiaxin Xu. (2025) Regenerative treatment of zinc-based nanoenzyme incorporated injectable hydrogel with mesenchymal stem cells alleviates spinal cord injury. JOURNAL OF BIOMATERIALS SCIENCE-POLYMER EDITION, [PMID:41167984] [10.1080/09205063.2025.2574942] |
| 6. Xiumei Geng, Ruiying Xie, Xinxin Sun, Xiang Zhang, Xuerui Wang, Roberto Castro Muñoz, Meixia Shan, Yatao Zhang. (2025) Influence of Filler Microstructure on Propylene/Propane Separation in Calixarene-based Mixed Matrix Membranes. Advanced Membranes, [PMID:] [10.1016/j.advmem.2025.100192] |
| 7. Kui Wang, Lu Shen, Xiang Ji, Jiale Gong, Chenchen Cui, Jiahong Xie, Liang Hong. (2025) Pyrogallol adhesion and mineralized bionic hybrid layer decorating UHMWPE fiber for enhancing the interfacial and mechanical properties. COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING, [PMID:] [10.1016/j.compositesa.2025.109528] |
| 8. Lijie Wang, Honggang Sun, Jianfeng Zhang, Linshui Dong. (2025) Productivity Dynamics in Chinese Fir Plantations: The Driving Role of Plant–Soil–Microbe Interactions in Northern Subtropical China. Forests, 16 (12): (1854). [PMID:] [10.3390/f16121854] |
| 9. Wenxin Hua, Jingzhong Kuang, Zheyu Huang, Lei Wang, Man Chen, Chenyang Zhang, Mingming Yu, Lingguo Meng. (2025) Selective separation mechanism of a metal inhibitor complex for scheelite and calcite: The structural stability of Fe3+-pyrogallol complex. MINERALS ENGINEERING, [PMID:] [10.1016/j.mineng.2025.109913] |
