431974

2,5-Dichlor-1,4-benzochinon

98%

• Synonym(e): 2,5-Dichloro-2,5-cyclohexadiene-1,4-dione, 2,5-Dichloro-p-benzoquinone
• Empirische Formel (Hill-System): C₆H₂Cl₂O₂
• CAS-Nummer: 615-93-0
• Molekulargewicht: 176.98
• EG-Nummer: 210-453-8
• MDL-Nummer: MFCD00041736
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24867059
• NACRES: NA.22

Eigenschaften

• Assay: 98%
• mp (Schmelzpunkt): 160-163 °C (lit.)
• SMILES String: ClC1=CC(=O)C(Cl)=CC1=O
• InChI: 1S/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
• InChIKey: LNXVNZRYYHFMEY-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

2,5-Dichloro-1,4-benzoquinone (DCBQ) is a halogenated quinone. DCBQs are carcinogenic intermediates.They have benn identified as chlorination disinfection byproducts in drinking water. DCBQ has been reported to increse the decomposition of a model ROOH tert-butylhydroperoxide, via formation of t-butoxyl radicals. The isomers of the DCBQ dimer have been investigated for the non-covalent interactions (NCIs) by quantum chemical calculations. Halogen bond present in 2,5-dichloro-1,4-benzoquinone have been investigated by experimental as well as theoretical charge density analysis. Its reaction with pyrrolidine has been investigated.

Anwendung

2,5-Dichloro-1,4-benzoquinone may be used in the following processes:

• As a starting material in the synthesis of asterriquinone D.
• As a model to study the utility of a novel photoreactor with LED (light-emitting diode) light source and a fibre-optic CCD (charge-coupled device) spectrophotometer.
• 2,5-dichloro-3,6-bi(3-indolyl)-1,4-hydroquinone synthesis by palladium catalyzed reaction with indole.

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H315,H319,H335
• P-Sätze: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: dust mask type N95 (US), Eyeshields, Gloves