pentachlorobenzene

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

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

Identifiers:

IUPAC Name: 1,2,3,4,5-pentachlorobenzene
CAS Number: 608-93-5
PubChem ID: 11855
InChiKey: CEOCDNVZRAIOQZ-UHFFFAOYSA-N
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

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3D structure (.sdf)
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3D structure (.pdbqt)

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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.