10x for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
|---|---|
| IUPAC Name | tetrasodium;3-hydroxy-4-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate |
| InChIKey | KQHKSGRIBYJYFX-UHFFFAOYSA-J |
| INCHI | 1S/C22H16N4O13S4.4Na/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30;;;;/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4 |
| Isomeric SMILES | C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| WGK Germany | 3 |
| RTECS | QJ6600000 |
| Molecular Weight | 760.57 |
| Reaxy-Rn | 6265648 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6265648&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 | Naphthalenes |
| Subclass | Naphthalene sulfonic acids and derivatives |
| Intermediate Tree Nodes | Naphthalene sulfonates |
| Direct Parent | 2-naphthalene sulfonates |
| Alternative Parents | Azobenzenes 2-naphthalene sulfonic acids and derivatives Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Azobenzene - 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Phenoxide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Organic sodium salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 760.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 4 |
| Exact Mass | 759.887 Da |
| Monoisotopic Mass | 759.887 Da |
| Topological Polar Surface Area | 332.000 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1430.000 |
| 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 | 5 |
| 1. Jin Jing-Hao, Zhou Xue, Liu Wang, Zhang Zi-Hui, Huang Shen-Xin, Zhao Wen-Jing, Chen Xiao-Ren. (2022) Influence of affinity tags and tobacco PR1a signal peptide on detection, purification and bioactivity analyses of the small oomycete apoplastic effectors. BIOTECHNOLOGY LETTERS, 45 (1): (115-124). [PMID:36450976] [10.1007/s10529-022-03324-0] |
| 2. Jingge Chen, Quanliang Cao, Xiaotao Han. (2020) Smart water-based ferrofluid with stable state transition property: Preparation and its application in anionic dye removal. Journal of Cleaner Production, [PMID:] [10.1016/j.jclepro.2020.125003] |
| 3. Yanlei Hu, Liang Liu, Juan Yu, Zhiguo Wang, Yimin Fan. (2020) Preparation of Silk Nanowhisker-Composited Amphoteric Cellulose/Chitin Nanofiber Membranes. BIOMACROMOLECULES, [PMID:32212687] [10.1021/acs.biomac.0c00223] |
| 4. Yanlei Hu, Liang Liu, Juan Yu, Zhiguo Wang, Yimin Fan. (2020) Preparation of Natural Multicompatible Silk Nanofibers by Green Deep Eutectic Solvent Treatment. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.9b07668] |
| 5. Xin Zhao, Qing-Da An, Zuo-Yi Xiao, Shang-Ru Zhai, Zhan Shi. (2018) Seaweed-derived multifunctional nitrogen/cobalt-codoped carbonaceous beads for relatively high-efficient peroxymonosulfate activation for organic pollutants degradation. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2018.07.171] |
| 6. Cao Fengmei, Liu Haiteng, Wu Fengchang, Lu Shaoyong. (2016) Automated Determination of Chromium (VI) in Tannery Effluent Using Flow Injection Analysis with an Optical Flow Cell and Detector. WATER AIR AND SOIL POLLUTION, 228 (1): (1-10). [PMID:] [10.1007/s11270-016-3162-y] |
| 7. Huimin Ruan, Changmeng Guo, Hongwei Yu, Jiangnan Shen, Congjie Gao, Arcadio Sotto, Bart Van der Bruggen. (2016) Fabrication of a MIL-53(Al) Nanocomposite Membrane and Potential Application in Desalination of Dye Solutions. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.6b03201] |
| 8. Sun Yuxuan, Zhang Wang, Gu Junnan, Xia Liangyu, Cao Yinghao, Zhu Xinhui, Wen Hao, Ouyang Shaowei, Liu Ruiqi, Li Jialong, Jiang Zhenxing, Cheng Denglong, Lv Yiliang, Han Xiaotao, Qiu Wu, Cai Kailin, Song Enmin, Cao Quanliang, Li Liang. (2024) Magnetically driven capsules with multimodal response and multifunctionality for biomedical applications. Nature Communications, 15 (1): (1-14). [PMID:38424039] [10.1038/s41467-024-46046-9] |
| 9. Ke Ning, Junzhi Li, Xiaoyan Yang, Yuanyuan Xie, Rong Pan, Wei Sun, Ling Yu. (2024) Microfluidic device-assisted 3D cell spheroids isolation, staining and embedding. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2024.111458] |
| 10. Chang-Wei Zhang, Jian-Zhong Ye, Xing-Ying Xue, Wen-Jun Li, Hong-Xia Chen, Cheng-Zhang Wang. (2025) Green and Sustainable Production of Baphicacanthus cusia Extracts and Their Dyeing Effect and Wound-Healing Ability. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.5c06832] |
| 11. Muhammad Muneeb Ahmad, Areena Fatima, Yunyun Ma, Munzar Badshah, Xiaoqin Ma, Zhaowei Qu, Lulu Huang, Lin Zhang, Vadivel Saravanan, Quansheng Xing, Zhaoyan Wang, Qiaosheng Pu. (2026) A robust Ti3C2Tx/alginate hydrogel reinforced with wheat straw cellulose microfibers (CMFs) for highly durable solar-driven water evaporation and desalination. Sustainable Materials and Technologies, [PMID:] [10.1016/j.susmat.2026.e01924] |
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