Brilliant Yellow - indicator , CAS No.3051-11-4

CAS: 3051-11-4 Cat. No.: B109621 Molecular Weight: 624.55 Beilstein Registry Number: 4122338 EC Number: 221-267-1 PubChem CID: 135442944

GRADE & PURITY Indicator

Synonyms

Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-(2-(4-hydroxyphenyl)diazenyl)-, sodium salt (1:2) | Direct Yellow 4 | Paper Yellow 3GX | Paper Yellow CB | B0783 | Benzo Brilliant Yellow | 4,4'-Bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulfonic acid,sodium

Storage

Room temperature

Shipped In

Normal

Overview

A conjugated azo dye compound.

Specifications

Synonyms

Benzenesulfonic acid, 2, 2'-(1, 2-ethenediyl)bis(5-(2-(4-hydroxyphenyl)diazenyl)-, sodium salt (1:2) | Direct Yellow 4 | Paper Yellow 3GX | Paper Yellow CB | B0783 | Benzo Brilliant Yellow | 4, 4'-Bis[(4-hydroxyphenyl)azo]stilbene-2, 2'-disulfonic acid, sodium

Specifications & Purity

indicator

Storage

Room temperature

Shipped In

Normal

Grade

Indicator

Names and Identifiers

• Pubchem Sid: 488202903
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202903
• Canonical Smiles: C1=CC(=CC=C1N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
• IUPAC Name: disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
• InChIKey: YLDIUICHQPKMNH-ZFEDVODKSA-L
• INCHI: 1S/C26H20N4O8S2.2Na/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b2-1+,29-27?,30-28?
• Isomeric SMILES: C1=CC(=CC=C1N=NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N=NC4=CC=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
• WGK Germany: 3
• PubChem CID: 135442944
• Molecular Weight: 624.55
• Beilstein: 4122338
• Reaxy-Rn: 6952957

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes
      • Subclass Sulfonated stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Sulfonated stilbenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonated stilbenes
• Alternative Parents: Azobenzenes Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Styrenes Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfonated stilbene - Azobenzene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Styrene - Phenoxide - Monocyclic benzene moiety - Benzenoid - 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 nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonated stilbenes. These are stilbenes that carry a sulfone group at one or more positions of either benzene rings.
• 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 water
• Molecular Weight: 624.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 624.036 Da
• Monoisotopic Mass: 624.036 Da
• Topological Polar Surface Area: 221.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1000.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Wenjing Geng, Zechen Zhang, Qi Guo, Yuchen Liu, Xinxin Ye, Hui Zhang, Chen Fu, Fengguang Liu, Yujun Zhu, Cheng Chen.  (2023)  Tailoring graphene oxide nanofiltration membrane with adjustable nanochannels for enhanced molecule separation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.147327]

2. Mao Xu, Qi Tang, Yuchen Liu, Jiaqi Shi, Weiyu Zhang, Chan Guo, Qiuwen Liu, Weiwei Lei, Cheng Chen.  (2023)  Charged Boron Nitride Nanosheet Membranes for Improved Organic Solvent Nanofiltration.  ACS Applied Materials & Interfaces,      [PMID:36820819] [10.1021/acsami.2c20893]

3. Xi Chen, Yi He, Yi Fan, Guangyong Zeng, Liyun Zhang.  (2018)  Nature-inspired polyphenol chemistry to fabricate halloysite nanotubes decorated PVDF membrane for the removal of wastewater.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2018.11.036]

4. Yingqing Zhan, Xinyi Wan, Shuangjiang He, Qiangbin Yang, Yi He.  (2017)  Design of durable and efficient poly(arylene ether nitrile)/bioinspired polydopamine coated graphene oxide nanofibrous composite membrane for anionic dyes separation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2017.09.147]

5. Guangyong Zeng, Zhongbin Ye, Yi He, Xi Yang, Jing Ma, Heng Shi, Ziliang Feng.  (2017)  Application of dopamine-modified halloysite nanotubes/PVDF blend membranes for direct dyes removal from wastewater.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2017.04.131]

6. Sui Wang, Jing Wei, Shasha Lv, Zhiyong Guo, Feng Jiang.  (2013)  Removal of Organic Dyes in Environmental Water onto Magnetic-Sulfonic Graphene Nanocomposite.  CLEAN-Soil Air Water,  41  (10): (992-1001).  [PMID:] [10.1002/clen.201200460]

7. Maohua Yang, Liangli Li, Chunni Zhao, Mei Zhang, Mingyan Jia.  (2024)  A colorimetric sensor array for the rapid identification of benzylisoquinoline alkaloids and Coptidis Rhizoma based on urease inhibition.  FOOD CHEMISTRY,      [PMID:39755044] [10.1016/j.foodchem.2024.142610]

8. Jingjing Huang, Hu Liao, Yangyang Zhang, Wanze Wu, Min Wu, Xiao Gong.  (2025)  Light-Driven Actuator Using Superhydrophobic Polymer Composite Films for Biomimetics and Water-Droplet Manipulation.  ACS Applied Materials & Interfaces,      [PMID:40773694] [10.1021/acsami.5c13258]

9. Liu Xu, Zhang Yihan, Xie Yifan, Wang Ledu, Gan Liyu, Li Jialei, Li Jiahe, Zhang Hongli, Chen Linjiang, Shang Weiwei, Jiang Jun, Zou Gang.  (2025)  Design of circularly polarized phosphorescence materials guided by transfer learning.  Nature Communications,  16  (1): (1-10).  [PMID:40436886] [10.1038/s41467-025-60310-6]

10. Menghui Li, Kai Wang, Shuwan Wang, Zihao Tian, Zhouli Wang, Yahong Yuan, Tianli Yue.  (2026)  High-dimensional colorimetric sensor array based on composite dyes for rapid detection of antioxidant properties during goji berry juice fermentation.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2026.149601]