2,5-Dichloro-1,4-benzoquinone (98%)

2,5-Dichloro-1,4-benzoquinone (98%)

Catalog Number:
CBB1116365
Mfr. No.:
431974
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      • Overview
        • 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.

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      • Properties
        • Categories
          Organic Building Blocks
          CAS Number
          615-93-0
          Molecular Formula
          C6H2Cl2O2
          Molecular Weight
          176.98
          Purity
          98%
          SMILES
          ClC1=CC(=O)C(Cl)=CC1=O
          InChi
          1S/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
          InChi Key
          LNXVNZRYYHFMEY-UHFFFAOYSA-N
          MDL Number
          MFCD00041736
          Others
          SID 24867059
          Hazard Information
          Warning
          Combustible Solids
          Note
          Please note that Amerigo Scientific does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final.

          * For Research Use Only.

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