Brilliant Crocein MOO - Biological stain , CAS No.5413-75-2

CAS: 5413-75-2 Cat. No.: B335295 Molecular Weight: 556.48 EC Number: 226-502-1

GRADE & PURITY Biological Stain

Synonyms

1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-, sodium salt (1:2) | 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:2) | UNII-5PLA82FV3C | NSC 47724 | CI 27290 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Application：

Brilliant Crocein is used mainly as a wool, silk, leather paper and leather dyeing. Can also be used for plastic, wood, spices, electrical-controlled aluminum, medicine color. Can make the ink, the heavy metal salt can be used as pigment；Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support；

Explanation：

Acid Red 73 is a synthetically prepared sulfonated azo dye

Specifications

Synonyms

1, 3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-, sodium salt (1:2) | 1, 3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:2) | UNII-5PLA82FV3C | NSC 47724 | CI 27290 |

Specifications & Purity

Biological stain

Storage

Room temperature, Argon charged

Shipped In

Normal

Grade

Biological Stain

Names and Identifiers

• Pubchem Sid: 488182702
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182702
• Canonical Smiles: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
• IUPAC Name: disodium;7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonate
• InChIKey: PEAGNRWWSMMRPZ-UHFFFAOYSA-L
• INCHI: 1S/C22H16N4O7S2.2Na/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
• Isomeric SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
• WGK Germany: 3
• Molecular Weight: 556.48
• Reaxy-Rn: 8032521
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8032521&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• 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 1-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonates 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 - 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 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 salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic sodium 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: organic sodium salt

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 (25 mg/ml) at 25° C.
• Sensitivity: Heat & Moisture & Air sensitive
• Molecular Weight: 556.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 556.01 Da
• Monoisotopic Mass: 556.01 Da
• Topological Polar Surface Area: 201.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 952.000
• 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. Yuwei Ding, Meng Li, Qian Zhang, Yibo Zhang, Zhixuan Xia, Xiangyu Liu, Nanping Wu, Jie Peng.  (2023)  Sulfidized state and formation: Enhancement of nanoscale zero-valent iron on biochar（S-nZVI/BC） in activating peroxymonosulfate for Acid Red 73 degradation.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.110114]

2. Daikun Li, Wei Zhan, Xinlei Gao, Qi Wang, LiPin Li, Jun Zhang, Guiyuan Cai, Wei Zuo, Yu Tian.  (2022)  Aminated waste paper membrane for efficient and rapid filtration of anionic dyes and antibiotics from water.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.140641]

3. Yingzi Lin, Junjie Chen, Hao Li, Lei Chen, Baoling Yuan, Chunyan Shi, Siwen Li, Gen Liu, Yuefeng Xie.  (2022)  Synergistic and efficient degradation of acid red 73 by UV/O3/PDS: Kinetic studies, free radical contributions and degradation pathways.  ENVIRONMENTAL RESEARCH,      [PMID:36270531] [10.1016/j.envres.2022.114449]

4. Liu Yuhao, Wang Jieqi, Chen Liping, He Yong.  (2022)  Simple preparation of ZIF-8 modified polyphenylene sulfide melt-blown film material and its organic dye removal performance.  JOURNAL OF POLYMER RESEARCH,  29  (7): (1-8).  [PMID:] [10.1007/s10965-022-03109-z]

5. Qian Peng, Xuekun Tang, Kun Liu, Xianping Luo, Dongsheng He, Ying Dai, Ganghong Huang.  (2019)  High-Efficiency Catalysis of Peroxymonosulfate by MgO for the Degradation of Organic Pollutants.  Minerals,  10  (1): (2).  [PMID:] [10.3390/min10010002]

6. Feilong Dong, Menglan Duan, Bo Xu, Tian Sun, Kexin Wu, Shan Luo.  (2024)  Efficient activation of peroxymonosulfate by 3D blocky sponge-supported spinel ferrite nanocomposites for convenient removal of aniline.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.130325]

7. Xianen Hu, Yiqing Li, Jun Du, Jingxiang Sun, Chun He, Ya Xiong, Shuanghong Tian.  (2024)  Waste Biomass-Derived Carbon with Ultrahigh Adsorption Capacity for Anionic and Cationic Dyes and Antibiotics in a Wide pH Range.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c03973]

8. Daikun Li, Jun Zhang, Wei Zhan, Guiyuan Cai, LiPin Li, Wei Zuo, Qinyu Wang, Yu Tian.  (2022)  Aminated polystyrene-polymaleic(anhydride) hollow microsphere membrane for fast and efficient dyes and oils filtration from water.  Journal of Materials Chemistry A,  10  (26): (13936-13945).  [PMID:] [10.1039/D2TA02218D]

9. Jiejie Wang, Yalei Ding, Shaoping Tong.  (2017)  Fe-Ag/GAC catalytic persulfate to degrade Acid Red 73.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2017.05.005]

10. Hongmei Liu, Boyue Zheng, Zhengxue Ge, Mengyun Liu, Caihong Tao, Fangbin Fan.  (2025)  The application of dual-function ionic liquids-hydrogel in the bidirectional non-interference effect of benzoylurea insecticides extraction and dye degradation.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2025.103112]