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2,5-Dichloro-1,4-benzoquinone

ALDRICH/431974 - 98%

Synonym: 2,5-Dichloro-2,5-cyclohexadiene-1,4-dione; 2,5-Dichloro-p-benzoquinone

CAS Number: 615-93-0
Empirical Formula (Hill Notation): C6H2Cl2O2
Molecular Weight: 176.98
EC Number: 210-453-8
MDL Number: MFCD00041736
Linear Formula: C6H2Cl2O2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-431974-10G 10 g
 $219.00
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assay 98%
InChI 1S/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
InChI key LNXVNZRYYHFMEY-UHFFFAOYSA-N
mp 160-163 °C (lit.)
SMILES string ClC1=CC(=O)C(Cl)=CC1=O
Application: 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.
General description: 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.
Packaging: 1, 10 g in glass bottle
Purity 98%
mp 160-163 °C (lit.)
UNSPSC 12352100

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