Methyl triclosan

Synonyms: Methyl triclosan, "2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene", "Triclosan Methyl Ether", "Triclosan-methyl", "Triclosan methyl", "Triclosan-methyl ether", "Methyl Ether Triclosan".

Source: Methyl triclosan is formed from biological methylation of triclosan.

Identifiers:

IUPAC Name: 2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene
CAS Number: 01/01/4640
PubChem ID: 627458
InChiKey: NLYDHBBTVWMLFD-UHFFFAOYSA-N
Canonical SMILES: COC1=C(C=CC(=C1)Cl)OC2=C(C=C(C=C2)Cl)Cl

Structural Properties:

Molecular Formula: C₁₃H₉Cl₃O₂
Molecular Weight: 303.6

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18

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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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