1,2,3,5,7,8-hexachloronaphthalene

Synonyms: "PCN-69".

Source: 1,2,3,5,7,8-hexachloronaphthalene is a polychlorinated naphthalene (PCN). PCNs are ubiquitous environmental pollutants produced by combustion, and present in electrical devices, wood, paper and textiles to attain waterproofness, flame resistance and protection against insects, molds and fungi.

Identifiers:

IUPAC Name: 1,2,3,5,7,8-hexachloronaphthalene
CAS Number: 103426-94-4
PubChem ID: 108145
InChiKey: JPQLLIUTUFJWMH-UHFFFAOYSA-N
Canonical SMILES: C1=C2C(=CC(=C(C2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C10H2Cl6
Molecular Weight: 334.826

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 16

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