1,2,3,4,6-pentachloronaphthalene

Synonyms: "PCN-50".

Source: 1,2,3,4,6-pentachloronaphthalene is a polychlorinated naphthalene (PCN). PCNs are ubiquitous environmental pollutants

Identifiers:

IUPAC Name: 1,2,3,4,6-pentachloronaphthalene
CAS Number: 67922-26-3
PubChem ID: 114733
InChiKey: BAOLNVSMVTYGDA-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C=C1Cl)C(=C(C(=C2Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₀H₃Cl₅
Molecular Weight: 300.384

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 15

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Behnisch PA, Hosoe K, Sakai S. 2003. Brominated dioxin-like compounds: In vitro assessment in comparison to classical dioxin-like compounds and other polyaromatic compounds. Environment International 29(6):861-877. DOI: 10.1016/S0160-4120(03)00105-3. URL: https://www.sciencedirect.com/science/article/pii/S0160412003001053.