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

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Toxicological Information

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

ITER (International Toxicity Estimates for Risk)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


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.

External Links

2D-structure

3D-structure