Synonyms: "2,4-dichlorophenyl 3-methoxy-4-nitrophenyl ether", "4-(2,4-dichlorophenoxy)-2-methoxy-1-nitrobenzene", "chlormethoxynil", "ekkusagoni", "diphenex", "chlomethoxyfen"

Source: chlomethoxyfen is an obsolete pre-emergence herbicide once used mainly in rice to control many annual weeds and some perennials including the aquatic Needle Spike Rush.


IUPAC Name: 4-(2,4-dichlorophenoxy)-2-methoxy-1-nitrobenzene
CAS Number: 32861-85-1
PubChem ID: 36250
Canonical SMILES: COC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Structural Properties:

Molecular Formula: C13H9Cl2NO4
Molecular Weight: 314,121

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 3
Number of atoms different from hydrogen: 20


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

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.

External Links




Jmol viewer