Sodium Anthraquinone-2-sulfonate Monohydrate - ≥97% , CAS No.153277-35-1

CAS: 153277-35-1 Cat. No.: S107065 Molecular Weight: 328.27 EC Number: 629-536-9 PubChem CID: 23666331

GRADE & PURITY ≥97%

Synonyms

F87422 | 2-anthraquinonesulfonic acid sodium salt monohydrate | Sodium9,10-dioxo-9,10-dihydroanthracene-2-sulfonatehydrate | Sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate hydrate | KHILLYASAGTPOI-UHFFFAOYSA-M | A883836 | Anthraquinone-2-sulfonic ac

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

F87422 | 2-anthraquinonesulfonic acid sodium salt monohydrate | Sodium9, 10-dioxo-9, 10-dihydroanthracene-2-sulfonatehydrate | Sodium 9, 10-dioxo-9, 10-dihydroanthracene-2-sulfonate hydrate | KHILLYASAGTPOI-UHFFFAOYSA-M | A883836 | Anthraquinone-2-sulfonic ac

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200422
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200422
• Canonical Smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].O.[Na+]
• IUPAC Name: sodium;9,10-dioxoanthracene-2-sulfonate;hydrate
• InChIKey: KHILLYASAGTPOI-UHFFFAOYSA-M
• INCHI: 1S/C14H8O5S.Na.H2O/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;;/h1-7H,(H,17,18,19);;1H2/q;+1;/p-1
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].O.[Na+]
• WGK Germany: 3
• RTECS: CB1095550
• PubChem CID: 23666331
• Molecular Weight: 328.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Ketone - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Organic salt - Organosulfur compound - Organooxygen compound - Organic sodium salt - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in hot water, cold water and insoluble in alcohol or ether.
• Molecular Weight: 328.270 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 328.002 Da
• Monoisotopic Mass: 328.002 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 538.000
• 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: 3

XLogP3

References

1. Chen Chen, Yueqin Li, Changhao Qian, Lin Han, Zichun Lu, Lingke Liu.  (2023)  Boosting PEDOT energy storage with a redox anthraquinone dopant for a flexible hydrogel supercapacitor at sub-zero temperatures.  Journal of Materials Chemistry C,  11  (22): (7441-7450).  [PMID:] [10.1039/D3TC00635B]

2. Yiming Ke, Kangyu Jia, Weibing Zhong, Xiaojuan Ming, Haiqing Jiang, Jiahui Chen, Xincheng Ding, Mufang Li, Zhentan Lu, Dong Wang.  (2022)  Wide-range sensitive all-textile piezoresistive sensors assembled with biomimetic core-shell yarn via facile embroidery integration.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.135003]

3. Yu-hang Song, Qing-tao Xu, Tao He, Zi-yang Wang, Lei Yu.  (2020)  Efficient Biodegradation of Azo Dyes Catalyzed by the Anthraquinone-2-sulfonate and Reduced Graphene Oxide Nanocomposite.  ACS Omega,      [PMID:32875250] [10.1021/acsomega.0c02837]

4. Weibing Zhong, Haiqing Jiang, Kangyu Jia, Xincheng Ding, Ashish Yadav, Yimin Ke, Mufang Li, Yuanli Chen, Dong Wang.  (2020)  Breathable and Large Curved Area Perceptible Flexible Piezoresistive Sensors Fabricated with Conductive Nanofiber Assemblies.  ACS Applied Materials & Interfaces,      [PMID:32814398] [10.1021/acsami.0c10516]

5. Ailing Yan, Hao Wan, Gen Chen, Ning Zhang, Wei Ma, Xiaohe Liu, Yijun Cao, Renzhi Ma.  (2019)  Heterostructured NiFe oxide/phosphide nanoflakes for efficient water oxidation.  DALTON TRANSACTIONS,  48  (23): (8442-8448).  [PMID:31116198] [10.1039/C9DT01275C]

6. Fei Li, Dong Wang, Qiongzhen Liu, Bo Wang, Weibing Zhong, Mufang Li, Ke Liu, Zhentan Lu, Haiqing Jiang, Qinghua Zhao, Chuanxi Xiong.  (2018)  The construction of rod-like polypyrrole network on hard magnetic porous textile anodes for microbial fuel cells with ultra-high output power density.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2018.11.090]

7. Yulei Zhang, Zonglu Yao, Junyi Ma, Jiadong Yu, Ping Ai, Ruixia Shen, Yi Liang, Lixin Zhao.  (2025)  A novel strategy for enhancing electron transfer by adding BC/AQS in the anaerobic digestion of agriculture waste: Focusing on the interaction between quinone/C=O and microbes.  ENERGY,      [PMID:] [10.1016/j.energy.2025.134788]

8. Zhaohui Guo, Jie Cao, Rui Xu, Honglin Zhang, Lele He, Hanbing Gao, Linao Zhu, Meiying Jia, Zhaohui Yang, Weiping Xiong.  (2024)  Novel Photoelectron-Assisted Microbial Reduction of Arsenate Driven by Photosensitive Dissolved Organic Matter in Mine Stream Sediments.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:39526867] [10.1021/acs.est.4c09647]

9. Shuaishuai Yang, Lijian Sun.  (2024)  Rational intramolecular and interface design of cellulosic paper electrode via PEDOT with AQS as dopant and electrolyte additives.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39173310] [10.1016/j.ijbiomac.2024.134931]

10. Lin Yan, Ren Yu, Lin Xiaoyun.  (2024)  Reduced graphene oxide loaded with sodium anthraquinone-2-sulfonate on functionalized carbon cloth for excellent electrochemical performance.  CHEMICAL PAPERS,      [PMID:] [10.1007/s11696-024-03860-1]