Remazol Brilliant Blue R , CAS No.2580-78-1

CAS: 2580-78-1 Cat. No.: R169089 Peso molecular: 626.54 Número EC: 219-949-9 PubChem CID: 17409

Synonyms

2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-, disodium salt | C.I. REACTIVE BLUE 19 [HSDB] | 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-(m-((2-hydroxyethyl)sulfonyl)anilino)-9,10-dioxo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Anthracenesulfonic acid, 1-amino-9, 10-dihydro-9, 10-dioxo-4-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-, disodium salt | C.I. REACTIVE BLUE 19 [HSDB] | 2-Anthracenesulfonic acid, 1-amino-9, 10-dihydro-4-(m-((2-hydroxyethyl)sulfonyl)anilino)-9, 10-dioxo

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 488182388
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182388
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]
• IUPAC Name: disodium;1-amino-9,10-dioxo-4-[3-(2-sulfonatooxyethylsulfonyl)anilino]anthracene-2-sulfonate
• InChIKey: KUIXZSYWBHSYCN-UHFFFAOYSA-L
• INCHI: 1S/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34;;/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]
• PubChem CID: 17409
• Peso molecular: 626.54

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Aniline and substituted anilines Sulfuric acid monoesters Alkyl sulfates Vinylogous amides Sulfones Organosulfonic acids Secondary amines Primary amines Organopnictogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Aryl ketone - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous amide - Ketone - Secondary amine - Organic alkali metal salt - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Aromatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 626.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 625.971 Da
• Monoisotopic Mass: 625.971 Da
• Topological Polar Surface Area: 255.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 1210.000
• 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

Referencias

1. Xueyan Xue, Nan Xue, Dandan Ouyang, Liuqian Yang, Yanan Wang, Hui Zhu, Aikelaimu Aihemaiti, Jiao Yin.  (2023)  Biochar-Based Single-Atom Catalyst with Fe-N3O-C Configuration for Efficient Degradation of Organic Dyes by Peroxymonosulfate Activation.  ACS Applied Materials & Interfaces,      [PMID:38035388] [10.1021/acsami.3c12518]

2. Ke-Xin Li, Guo-Wei Guan, Ling-Min Pei, Qing-Yuan Yang.  (2023)  Constructing a new platform for photo-peroxidase catalysis: ZIF-90 as a dual ‘modulator’ to overcome peroxide industrial application bottlenecks.  Materials Chemistry Frontiers,  7  (14): (2896-2905).  [PMID:] [10.1039/D2QM01371A]

3. Jian Li, Pei Xiao, Jie Yu, Lei Li, Yiyun Zhang, Yun Ma, Fei Liu, Yi Li.  (2022)  Surface Modification of a Thin-Film Composite (TFC) Nanofiltration Membrane with 3-Aminopropyltriethoxysilane (APTES) for Efficient Dye–Salt Separation.  ACS ES&T Water,      [PMID:] [10.1021/acsestwater.2c00308]

4. Anqi Wang, Wei Chen, Hang Xu, Zongli Xie, Xiaoying Zheng, Mingxiang Liu, Yueting Wang, Nannan Geng, Xiaoying Mu, Mingmei Ding.  (2022)  Heterostructured MoS2 quantum dot/GO lamellar membrane with improved transport efficiency for organic solvents inspired by the Namib Desert beetle.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2022.120402]

5. Wenhui Zhang, Haiming Song, Lijing Zhu, Gang Wang, Zhixiang Zeng, Xiaocheng Li.  (2022)  High flux and high selectivity thin-film composite membranes based on ultrathin polyethylene porous substrates for continuous removal of anionic dyes.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2022.107202]

6. Mei Hong, Die Li, Bingyu Wang, Jingyu Zhang, Bin Peng, Xiaoling Xu, Yan Wang, Chunyang Bao, Jing Chen, Qiang Zhang.  (2021)  Cellulose-derived polyols as high-capacity adsorbents for rapid boron and organic pollutants removal from water.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:34214857] [10.1016/j.jhazmat.2021.126503]

7. Mei-Ling Liu, Lu Li, Yu-Xuan Sun, Zheng-Jun Fu, Xue-Li Cao, Shi-Peng Sun.  (2020)  Scalable conductive polymer membranes for ultrafast organic pollutants removal.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2020.118644]

8. Shuhui Wang, Yu Huang, Xu Meng, Xiang Liu.  (2020)  Highly efficient and heterogeneous OMS-2 for the directly oxidative degradation of organic dyes under acidic condition.  INORGANIC CHEMISTRY COMMUNICATIONS,      [PMID:] [10.1016/j.inoche.2020.107969]

9. Li Yin, Zhenguo Liu, Yufu Yang, Yang Guo, Guanying Zhang, Fangyuan Gai, Yuhui Ao, jieran Liu, Bingjing Xin, Yunling Liu.  (2019)  Structured carbon fiber cloth-templated ZIF-8 by binder-free method for efficient dyes removal from water.  MATERIALS CHEMISTRY AND PHYSICS,      [PMID:] [10.1016/j.matchemphys.2019.122563]

10. Duan Zihong, Shen Rui, Liu Binjie, Yao Mengwei, Jia Rong.  (2018)  Comprehensive investigation of a dye-decolorizing peroxidase and a manganese peroxidase from Irpex lacteus F17, a lignin-degrading basidiomycete.  AMB Express,  8  (1): (1-16).  [PMID:30019324] [10.1186/s13568-018-0648-6]

11. Zhujian Huang, Pingxiao Wu, Hailing Li, Wen Li, Yajie Zhu, Nengwu Zhu.  (2014)  Synthesis and catalytic properties of La or Ce doped hydroxy-FeAl intercalated montmorillonite used as heterogeneous photo Fenton catalysts under sunlight irradiation.  RSC Advances,  4  (13): (6500-6507).  [PMID:] [10.1039/C3RA46729E]

12. Xue-Li Cao, Tian Tian, Yong Bai, Chun Cui, Cong Luo, Jiang-Shan Xing, Chuan-Yu Chen, Lili Zhao, Shi-Peng Sun.  (2024)  Broad-spectrum corrosion-resistant nanofiltration membranes via reactive site-bridged nanofibrous network.  AICHE JOURNAL,      [PMID:] [10.1002/aic.18699]

13. Huimin Shao, Xiaoyun Su, Yaru Wang, Jie Zhang, Tao Tu, Xiaolu Wang, Huoqing Huang, Bin Yao, Huiying Luo, Xing Qin.  (2024)  Oxidative degradation and detoxification of multiple mycotoxins using a dye-decolorizing peroxidase from the white-rot fungus Bjerkandera adusta.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2024.116597]

14. Jialu Bo, Baoli Shi.  (2024)  Scaling factor of dispersion force interaction between dyes and corn cobs in water.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.124985]

15. Haowen Li, Huiwen Feng, Kai Wang, Yingjie Zhang, Jun Ma, Dan Song, Xiao Sui.  (2024)  The role of one-dimensional materials in modulating the selective mass transport of covalent organic framework membranes for nanofiltration.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.129669]

16. Zhipeng Zhang, Jie Chen, Yan Ke, Xi Du, Xiaoqun Qiu, Liming Zhou, Yugao Zhang, Minghui Qiu, Jing Guo, Xu Jiang, Lu Shao.  (2025)  Mayer-bar continuous fabrication of covalent organic framework nanosheet tuned graphene oxide membranes for high-salinity dyeing wastewater recycling.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124498]

17. Yuhang Wei, Qingpeng Zhu, Weiwei Xie, Xinyue Wang, Song Li, Zhiming Chen.  (2024)  Biocatalytic enhancement of laccase immobilized on ZnFe2O4 nanoparticles and its application for degradation of textile dyes.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2023.12.015]

18. Zhang Kai, Dai Yu, Shi Yongli, Zhang Zhaoxin, Li Linji, Zhang Xiaojin, Xia Fan.  (2024)  Cyclodextrin nanofilms with hydrophobic and hydrophilic channels for solvent permeation and molecular sieving.  Nano Research,      [PMID:] [10.1007/s12274-024-6560-1]

19. Fu Xiaolei, He Yan, Guo Zhulei, Chen Mingfan, Du Wenlong, Zeng Yuqin, Yuan Dingzhong, Na Bing.  (2024)  Facile synthesis of novel bi-heteroatom functionalized hyper-crosslinked porous polymers with efficient adsorption of methylene blue and methyl orange.  RESEARCH ON CHEMICAL INTERMEDIATES,      [PMID:] [10.1007/s11164-024-05346-x]

20. Qian Hui, Wang Yuxuan, Zhou Xibin, Gu Tao, Wang Hui, Lyu Hao, Li Zhikai, Li Xiuxu, Zhou Huan, Guo Chengchen, Yuan Fajie, Wang Yajie.  (2025)  ESM-Ezy: a deep learning strategy for the mining of novel multicopper oxidases with superior properties.  Nature Communications,  16  (1): (1-11).  [PMID:40188191] [10.1038/s41467-025-58521-y]

21. Bingyan An, Meng Dong, Xuewei Zhou, Man Zhang, Beini Zeng, Yajie Shu, Jinming Zhang, Jinfeng Wang.  (2025)  Water-Saving and Less-Salt Cotton Dyeing Process Using Deep Eutectic Solvents.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c00388]

22. Lin Jiuyang, Yu Zijian, Chen Tianci, Huang Junming, Chen Lianxin, Li Jiangjing, Li Xuewei, Huang Xiaolei, Luo Jianquan, Ang Elisa Yun Mei, Toh William, Wang Peng Cheng, Ng Teng Yong, Seo Dong Han, Zhao Shuaifei, Zhong Kuo, Xie Ming, Ye Wenyuan, Van der Bruggen Bart, Wan Yinhua.  (2025)  Sub-4 nanometer porous membrane enables highly efficient electrodialytic fractionation of dyes and inorganic salts.  Nature Communications,  16  (1): (1-10).  [PMID:40246921] [10.1038/s41467-025-58873-5]

23. Chao Wang, Peijuan Chu, Tengfei He, Cheng Yi, Yue Yao, Lijia Liu, Chunhong Zhang.  (2025)  Natural product flavonoid of naringenin based thin-film composite polyester membranes preparation for antibiotic separation.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.134123]

24. Wenjie Gong, Man Zhang, Yun Li, Meng Dong, Yuan He, Beini Zeng, Yajie Shu, Kunkun Zhu, Jinming Zhang, Jinfeng Wang.  (2025)  Grapevine-Inspired Cellulose Polymer Dyes: Multi-Active Networks Enabling Salt-Free Dyeing and Wastewater Reduction.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2025.113317]

25. Xingtao Xue, Min Yao, Junxin Yu, Huiyun Lu, Yubo Liu, Hongbin Wang, Huasheng Gao.  (2025)  Removal of Sb(V) from textile wastewater with iron-based coagulants: Influence factors, precipitate speciation and mechanism analysis.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2025.108924]

26. Dongcheng Li, Shenghu Wang, Huanji Song, Xianying Xu, Shihao Yang, Yuyang Dong, Yan Luo, Weiyang Lv.  (2026)  Synergistic FeCu dual-metal sites on boron nitride for boosted redox cycling in Fenton-like reactions.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2026.137322]