2,3,6,7-tetrachloronaphthalene

Synonyms: "PCN 48", "PCN No. 48","PCN No 48".

Source: 2,3,6,7-tetrachloronaphthalene 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: 2,3,6,7-tetrachloronaphthalene
CAS Number: 34588-40-4
PubChem ID: 108070
InChiKey: XTTLUUBHRXWFSZ-UHFFFAOYSA-N
Canonical SMILES: C1=C2C=C(C(=CC2=CC(=C1Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C10H4Cl4
Molecular Weight: 265.942

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 14

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