2,4-dichlorophenoxyacetic acid

Synonyms: hedonal, "(2,4-dichlorophenoxy)acetic acid", "agrotect", "fernesta", "fernimine", "netagrone", "tributon,"2,4-D"

Source: 2,4-dichlorophenoxyacetic acid is a systemic herbicide used post emergence for the control of broadleaf and grass weeds on crops, commercial and industrial areas, turf, forestry and waterways.

Identifiers:

IUPAC Name: 2-(2,4-dichlorophenoxy)acetic acid
CAS Number: 94-75-7
PubChem ID: 1486
InChiKey: OVSKIKFHRZPJSS-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(=O)O

Structural Properties:

Molecular Formula: C₈H₆Cl₂O₃
Molecular Weight: 221.04

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 13

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Evidence Supporting This Chemical as an Emerging Contaminant

Osorio, V., Schriks, M., Vughs, D., de Voogt, P., Kolkman, A. (2018). A novel sample preparation procedure for effect-directed analysis of micro-contaminants of emerging concern in surface waters. Talanta 186, 527?537.

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