Synonyms: "1,2,3,4,5-pentachlorobenzene"

Source: pentachlorobenzene is primarily used in the production of the fungicide quintozene (pentachloronitrobenzene).


IUPAC Name: 1,2,3,4,5-pentachlorobenzene
CAS Number: 608-93-5
PubChem ID: 11855
Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C6HCl5
Molecular Weight: 250,337

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 11


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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

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

den Besten C, Bennik MHJ, Bruggeman I, Schielen P, Kuper F, Brouwer A, Koeman JH, Vos JG, Van Bladeren PJ. 1993. The role of oxidative metabolism in hexachlorobenzene-induced porphyria and thyroid hormone homeostasis - A comparison with pentachlorobenzene in a 13-week feeding study. Toxicol Appl Pharmacol 119(2):181-194.

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