2,3,4,5-tetrachlorophenol

Synonyms: "tetrachlorophenol", "2,3,4,5-tetrachlorophenate".

Source: 2,3,4,5-tetrachlorophenol is a member of the polychlorinated biphenyls (PCBs), a group of industrial chemicals used as dielectrics, coolants and lubricants in electrical equipment. PCBs contaminate water by leaching from landfills or other waste deposits.

Identifiers:

IUPAC Name: 2,3,4,5-tetrachlorophenol
CAS Number: 4901-51-3
PubChem ID: 21013
InChiKey: RULKYXXCCZZKDZ-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O

Structural Properties:

Molecular Formula: C6H2Cl4O
Molecular Weight: 231.881

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 11

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Evidence Supporting This Chemical as an Endocrine Disruptor
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den Besten C, Vet JJRM, Besselink HT, Kiel GS, Beems R, van Bladeren PJV. 1991. The liver, kidney, and thyroid toxicity of chlorinated benzenes. Toxicol Appl Pharmacol 111(1):69-81. DOI: 10.1016/0041-008X(91)90135-2. URL: https://www.sciencedirect.com/science/article/pii/0041008X91901352.

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