2,4-dichlorophenoxybutyric acid

Synonyms: "4-(2,4-dichlorophenoxy)butyric acid", "butoxone", "4-(2,4-dichlorophenoxy)butanoic acid", "butyrac", "2,4-DB", "2,4-D butyric acid", "legumex D", "butyrac 118", "butyrac 200", "buratal"

Source: 2,4-dichlorophenoxybutyric acid is used as a herbicide on peanuts, soybeans, and alfalfa, cereals and clove.

Identifiers:

IUPAC Name: 4-(2,4-dichlorophenoxy)butanoic acid
CAS Number: 94-82-6
PubChem ID: 1489
InChiKey: YIVXMZJTEQBPQO-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O

Structural Properties:

Molecular Formula: C₁₀H₁₀Cl₂O₃
Molecular Weight: 249.091

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 15

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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

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.