Disodium Bathocuproinedisulfonate - ≥97% , CAS No.52698-84-7

CAS: 52698-84-7 Cat. No.: D303893 Peso molecular: 564.54 Número EC: 258-111-7

GRADE & PURITY ≥97%

Synonyms

Sodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate | 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthrolinedisulfonic Acid Disodium Salt | Bathocuproinedisulfonic Acid Disodium Salt

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Sodium 2, 9-dimethyl-4, 7-diphenyl-1, 10-phenanthroline-3, 8-disulfonate | 2, 9-Dimethyl-4, 7-diphenyl-1, 10-phenanthrolinedisulfonic Acid Disodium Salt | Bathocuproinedisulfonic Acid Disodium Salt

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488198952
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198952
• Sonrisas canónicas: CC1=C(C(=C2C=CC3=C(C(=C(N=C3C2=N1)C)S(=O)(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate
• InChIKey: RNGKZLRAVYPLJC-UHFFFAOYSA-L
• INCHI: 1S/C26H20N2O6S2.2Na/c1-15-25(35(29,30)31)21(17-9-5-3-6-10-17)19-13-14-20-22(18-11-7-4-8-12-18)26(36(32,33)34)16(2)28-24(20)23(19)27-15;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
• Isómeros SMILES: CC1=C(C(=C2C=CC3=C(C(=C(N=C3C2=N1)C)S(=O)(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+]
• CAS alternativo: 121560-02-9
• Peso molecular: 564.54
• Reaxy-Rn: 23673633
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23673633&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenanthrolines Phenylpyridines Arylsulfonic acids and derivatives Methylpyridines Benzene and substituted derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 1,10-phenanthroline - 4-phenylpyridine - Arylsulfonic acid or derivatives - Methylpyridine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azacycle - Organic alkali metal salt - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic salt - Organic sodium salt - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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

• Punto de fusión (°C): 300ºC
• Peso molecular: 564.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 564.04 Da
• Monoisotopic Mass: 564.04 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 874.000
• 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. xiaofeng Yu, Jiahui Wang, min Zhang, Xianfeng Ma, xiuquan Xu.  (2024)  Green and efficient extraction of polyphenols from the leaves of Quercus dentata Thunb and in vitro antioxidant activities of polyphenol extract.  Sustainable Chemistry and Pharmacy,      [PMID:] [10.1016/j.scp.2024.101662]

2. Hao Dong, Yuan Gao, Dongyue Jiang, Chenjie Feng, Xinyue Gu, Xiyunyi Cai, Yulin Liu, Guangyu Zhang, Jiacheng Wen, Weiwei Diao, Ying Zhou, Ruixin Li, Dayang Xu, Weijia Xie, Liang Wu.  (2025)  Synthesis and Biological Evaluation of a Caffeic Acid Phenethyl Ester Derivatives as Anti-Hepatocellular Carcinoma Agents via Inhibition of Mitochondrial Respiration and Disruption of Cellular Metabolism.  Cancers,  18  (1): (92).  [PMID:41514605] [10.3390/cancers18010092]