bromoxynil

Synonyms: "3,5-dibromo-4-hydroxybenzonitrile", "brominal", "brominil", "broxynil", "brittox", "brominex", "buctril", "labuctril", "pardner"

Source: bromoxynil is the active constituent in a number of herbicide products commonly used to control a wide range of weeds in pastures and food and fodder crops.

Identifiers:

IUPAC Name: 3,5-dibromo-4-hydroxybenzonitrile
CAS Number: 1689-84-5
PubChem ID: 15531
InChiKey: UPMXNNIRAGDFEH-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C(C(=C1Br)O)Br)C#N

Structural Properties:

Molecular Formula: C7H3Br2NO
Molecular Weight: 276,913

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 11

Downloads

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)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

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


Van den Berg KJ, van Raaij JAGM, Bragt PC, Notten WRF. 1991. Interactions of halogenated industrial chemicals with transthyretin and effects on thyroid hormone levels in vivo. Arch Toxicol 65(1):15-19.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer