Chloranil (TCBQ) - ≥98% , CAS No.118-75-2

CAS: 118-75-2 Cat. No.: T105285 Formula: C₆Cl₄O₂ Peso molecolare: 245.88 Beilstein Registry Number: 393006 Numero EC: 204-274-4

GRADE & PURITY ≥98%

Synonyms

2,3,5,6-Tetrachloro-p-benzoquinone | DivK1c_006946 | EN300-18125 | Spectrum5_001386 | Spergon | 2,5,6-Tetrachloroquinone | 4-Chloranil | Tox21_303021 | D72499 | DTXCID20266 | Spergon I | Tetrachloro-p-quinone | p-Benzoquinone,3,5,6-tetrachloro- | p-Chlora

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Panoramica

Application：

Synthesis of dibenzofurans via oxidative cyclization. 
TCBQ can form a nanocomposite with multi-walled carbon nanotubes (MWCNTs) on a graphite electrode for nicotinamide adenine dinucleotide (NADH) oxidation. It can also provide pseudocapacitance and can be used as an electrode material for the development of supercapacitors.[4] It may be used as an organic cathode and act as a redox mediator for the fabrication of lithium ion batteries. 
Undergoes photoinduced cycloaddition reactions with stilbene derivatives and α,β-unsaturated carbonyl compounds. Fluorescence quencher.

Specifications

Sinonimi

2,3,5,6-Tetrachloro-p-benzoquinone | DivK1c_006946 | EN300-18125 | Spectrum5_001386 | Spergon | 2,5,6-Tetrachloroquinone | 4-Chloranil | Tox21_303021 | D72499 | DTXCID20266 | Spergon I | Tetrachloro-p-quinone | p-Benzoquinone,3,5,6-tetrachloro- | p-Chlora

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488180768

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180768

Sorrisi canonici

C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl

IUPAC Name

2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione

InChIKey

UGNWTBMOAKPKBL-UHFFFAOYSA-N

INCHI

1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

Isomeri SMILES

C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl

WGK Germania

2

RTECS

DK6825000

Numero UN

3077

Gruppo di imballaggio

III

Peso molecolare

245.88

Beilstein

393006

Reaxy-Rn

393006

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones - Quinones - Benzoquinones
• Direct Parent: P-benzoquinones
• Alternative Parents: Vinylogous halides Alpha-chloroketones Vinyl chlorides Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-benzoquinone - Alpha-haloketone - Alpha-chloroketone - Vinylogous halide - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aliphatic homomonocyclic compound
• Descrizione: 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: organochlorine compound - benzoquinones

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in ether and acetone. Slightly soluble in chloroform, dimethylformamide, solvent naphtha, benzene, carbon disulfide and carbon tetrachloride. Insoluble in water, cold petroleum ether, methanol, dibutyl phthalate and cold alcohol.
• Sensibilità: Light sensitive
• Punto di fusione (°C): 290°C
• Peso molecolare: 245.900 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 245.862 Da
• Monoisotopic Mass: 243.865 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 277.000
• 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