triclosan

Synonyms: 5-chloro-2-(2,4-dichlorophenoxy)phenol, "cloxifenolum", "triclosanum", "irgasan", "2,4,4'-trichloro-2'-hydroxydiphenyl ether"

Source: triclosan is an ingredient added to many consumer products to reduce or prevent bacterial contamination. It may be found in products such as clothing, kitchenware, furniture, and toys. It also may be added to antibacterial soaps and body washes, toothpastes, and some cosmetics.

Identifiers:

IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol
CAS Number: 3380-34-5
PubChem ID: 5564
InChiKey: XEFQLINVKFYRCS-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₇Cl₃O₂
Molecular Weight: 289.54

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17

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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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2D-structure

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