1,1,1,3,12,13-Hexachlorotridecane

Synonyms: 1,1,1,3,12,13-hexachlorotridecane.

Source: 1,1,1,3,12,13-Hexachlorotridecane is a polychlorinated alkane (PCA). PCAs are frequently used as plasticizers in plastics and paints.

Identifiers:

IUPAC Name: 1,1,1,3,12,13-hexachlorotridecane
CAS Number: 865306-23-6
PubChem ID: 53421406
InChiKey: HAWCFLYPEAVOKJ-UHFFFAOYSA-N
Canonical SMILES: C(CCCCC(CCl)Cl)CCCC(CC(Cl)(Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₃H₂₂Cl₆
Molecular Weight: 391

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 19

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Evidence Supporting This Chemical as an Emerging Contaminant

Huang, X., Liub, Q., Gao, W., Wang, Y., Nie, Z., Yao, S.,& Jiang, G. (2018). Fast screening of short-chain chlorinated paraffins in indoor dust samples by graphene-assisted laser desorption/ionization mass spectrometry. Talanta 179, 575?582.

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