1,2,5,6,9-Pentachlorodecane

Synonyms: 1,2,5,6,9-pentachlorodecane, "1,2,5,6,9-Pentachlorodecane (CP-3)".

Source: 1,2,5,6,9-Pentachlorodecane is a polychlorinated alkane (PCA). PCAs are frequently used as plasticizers in plastics and paints.

Identifiers:

IUPAC Name: 1,2,5,6,9-pentachlorodecane
CAS Number: 205646-13-5
PubChem ID: 53440420
InChiKey: AMKBEJYNNQNKGD-UHFFFAOYSA-N
Canonical SMILES: CC(CCC(C(CCC(CCl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₀H₁₇Cl₅
Molecular Weight: 314.5

Pharmacophore Features:

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

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2D structure (.sdf)
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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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2D-structure

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