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

Downloads

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

Toxicological Information

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.

External Links

2D-structure

3D-structure