2,4-DB

Identification (Source:EPA,EU)

ID 1016
Name 2,4-DB
CAS 94-82-6
IUPAC 4-(2,4-dichlorophenoxy)butyric acid
Inchi InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
CIPAC 83
EPA Code 030801
Formula C10H10Cl2O3
SMILES Clc1cc(Cl)ccc1OCCCC(=O)O
Status Approved

Classification

Mode of Action Selective, systemic. Synthetic auxin causing stem and leaf malformations leading to death.
Pesticide Type Herbicide
Chemical Group Aryloxyalkanoic acid
Classification auxins
phenoxybutyric herbicides

Properties (Source:PubChem)

Molecular Weight 249.09
Physical State White crystals
AlogP 3.193
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 229.26
Polar Surface Area 46.53

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth > 1.1 mg l-1
Algae Chronic 96 hour NOEC, growth 67.9 mg l-1
Aquatic invertebrates Acute 48 hour EC50 25 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 3 mg l-1
Aquatic plants Acute 7 day EC50, biomass 68.8 mg l-1
Birds Acute LD50 1545 mg kg-1
Birds Short term dietary LC50/LD50 > 5000 mg/kg
Earthworms Acute 14 day LD50 > 1000 mg kg-1
Fish Acute 96 hour LC50 3.5 mg l-1
Fish Chronic 21 day NOEC 63.4 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 877 mg kg-1
Mammals Short term dietary NOEL 300 ppm diet
Mammals Short term dietary NOEL 43 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 175

Related targets

Target Name RScore (About this table)
NADP oxidoreductase 81(1,1,1,1) Details
HGPRT 6(0,0,1,1) Details
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