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

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2D structure (.sdf)
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

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.