2,5-Dihydroxy-1,4-benzoquinone - ≥98%(HPLC) , CAS No.615-94-1

CAS: 615-94-1 Cat. No.: D134510 Peso molecular: 140.09 Beilstein Registry Number: 8377 Número EC: 210-454-3

GRADE & PURITY ≥98%(HPLC)

Synonyms

2,5-Dihydroxybenzo-1,4-quinone # | 2,5-Dihydroxy-p-benzoquinone | 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione | UNII-0KG5HVB52Z | 2,4-dione, 2,5-dihydroxy- | 2,5-Dihydroxy-p-quinone | NSC144259 | NSC-144259 | 4,5-Dihydroxycyclohexa-3,5-diene-1,2-dione | SC

Storage

Room temperature

Shipped In

Normal

Descripción general

2,5-dihydroxy-1,4-benzoquinone dianion, and squarate as bridging ligands in the synthesis and magnetic properties of binuclear iron(III) complexes with oxalate. A Dinuclear 2,5-Dihydroxy-1,4-benzoquinone acts as a bridging ligand Ruthenium(II) Complex with the Dianion.

Specifications

Sinónimos

2, 5-Dihydroxybenzo-1, 4-quinone # | 2, 5-Dihydroxy-p-benzoquinone | 2, 5-dihydroxycyclohexa-2, 5-diene-1, 4-dione | UNII-0KG5HVB52Z | 2, 4-dione, 2, 5-dihydroxy- | 2, 5-Dihydroxy-p-quinone | NSC144259 | NSC-144259 | 4, 5-Dihydroxycyclohexa-3, 5-diene-1, 2-dione | SC

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488184260
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184260
• Sonrisas canónicas: C1=C(C(=O)C=C(C1=O)O)O
• IUPAC Name: 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
• InChIKey: QFSYADJLNBHAKO-UHFFFAOYSA-N
• INCHI: 1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H
• Isómeros SMILES: C1=C(C(=O)C=C(C1=O)O)O
• Peso molecular: 140.09
• Beilstein: 8377
• Reaxy-Rn: 1939229
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1939229&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Quinones
              • Level8 Benzoquinones
                • Level9 P-benzoquinones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones - Quinones - Benzoquinones
• Direct Parent: P-benzoquinones
• Alternative Parents: Vinylogous acids Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-benzoquinone - Vinylogous acid - Enol - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
• 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

• Solubilidad: Soluble in water
• Punto de inflamación (°C): 162.9°C
• Punto de fusión (°C): 235°C
• Peso molecular: 140.090 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 140.011 Da
• Monoisotopic Mass: 140.011 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 231.000
• 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: 1

Referencias

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7. Zhimin Li, Xiaofang Deng, Guanhui Chen, Ziyu Zhang, Shengwei Wang, Zhongai Hu, Xiaoquan Lu.  (2025)  Stretchable and self-healing 2,5-dihydroxy-1,4-benzoquinone/polyacrylamide composites for high-performance all-solid-state flexible supercapacitors.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.165287]

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