chlornitrofen-amino

Synonyms: "2,4,6-trichlorophenyl-4'-aminophenyl ether", "amino-chlornitrofen", "4-(2,4,6-trichlorophenoxy)aniline", "4-(2,4,6-trichlorophenoxy)benzenamine"

Source: chlornitrofen-amino is an amino derivative of the herbicide chlornitrofen.

Identifiers:

IUPAC Name: 4-(2,4,6-trichlorophenoxy)aniline
CAS Number: 26306-61-6
PubChem ID: 33473
InChiKey: YDIXMXKRLYKJJM-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1N)OC2=C(C=C(C=C2Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₈Cl₃NO
Molecular Weight: 288.557

Pharmacophore Features:

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

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kojima H, Katsura E, Takeuchi S, Niiyama K, Kobayashi K. 2004. Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells. Environ Health Perspect 112(5):524-531.