Hexachlorobenzene

Synonyms: Hexachlorobenzene, "Perchlorobenzene", "118-74-1", "Sanocide", "Anticarie", "Phenyl perchloryl", "Benzene, hexachloro-", "Hexachlorbenzol", "Snieciotox", "Amatin", "1,2,3,4,5,6-Hexachlorobenzene", "Julin's carbon chloride", "NO Bunt 80", "NO Bunt 40", "Esaclorobenzene", "Granox", "Saatbeizfungizid", "Pentachlorophenyl chloride".

Source: hexachlorobenzene is a chlorinated hydrocarbon selective fungicide used as a seed protectant treatment, especially on wheat to control common and dwarf bunt.

Identifiers:

IUPAC Name: 1,2,3,4,5,6-hexachlorobenzene
CAS Number: 118-74-1
PubChem ID: 8370
InChiKey: CKAPSXZOOQJIBF-UHFFFAOYSA-N
Canonical SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₆Cl₆
Molecular Weight: 284,800

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 12

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Evidence Supporting This Chemical as an Emerging Contaminant

Blum, K. M., Andersson, P. L., Ahrens, L., Wiberg, K., & Haglund, P. (2018). Persistence, mobility and bioavailability of emerging organic contaminants discharged from sewage treatment plants. Science of the Total Environment, 612, 1532-1542.

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2D-structure

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