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3-(3,5-二氯苯基)苯-1,2-二醇

3-(3,5-Dichlorophenyl)benzene-1,2-diol.

作者信息

Dhakal Ram, Parkin Sean, Lehmler Hans-Joachim

机构信息

The University of Iowa, Department of Occupational and Environmental Health, University of Iowa Research Park, Iowa City, IA 52242, USA.

Department of Chemistry, University of Kentucky, Chemistry-Physics Bldg, Lexington, KY 40506-0055, USA.

出版信息

IUCrdata. 2019 Sep;4(9). doi: 10.1107/s2414314619012021.

DOI:10.1107/s2414314619012021
PMID:34708161
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8547764/
Abstract

The title structure [systematic name: 4-(3,5-dichlorophenyl)benzene-1,2-diol], CHClO, is a putative metabolite of 3,5-dichlorobiphenyl (PCB 14). The dihedral angle between the two benzene rings of the title compounds is 58.86 (4)°. In the crystal, it displays intra and intermolecular O-H···O hydrogen bonding and intermolecular O-H···Cl hydrogen···chlorine interactions.

摘要

标题结构[系统名称：4-(3,5-二氯苯基)苯-1,2-二醇]，CHClO，是3,5-二氯联苯（多氯联苯14）的一种假定代谢物。标题化合物两个苯环之间的二面角为58.86(4)°。在晶体中，它表现出分子内和分子间的O-H···O氢键以及分子间的O-H···Cl氢···氯相互作用。

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本文引用的文献

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Progressive risk assessment of polychlorinated biphenyls through a Total Diet Study in the Korean population.通过韩国人群总膳食研究对多氯联苯进行的渐进式风险评估。
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Chiral polychlorinated biphenyls: absorption, metabolism and excretion--a review.手性多氯联苯：吸收、代谢与排泄——综述
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