bromoxynil

Identification (Source:EPA,EU)

ID 970
Name bromoxynil
CAS 1689-84-5
IUPAC 3,5-dibromo-4-hydroxybenzonitrile
Inchi InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
CIPAC 87
EPA Code 035301
Formula C7H3Br2NO
SMILES Oc1c(Br)cc(cc1Br)C#N
Status Approved

Classification

Mode of Action Selective, contact action with some systemic activity. Inhibits photosynthesis (photosystem II).
Pesticide Type Herbicide, Metabolite
Chemical Group Hydroxybenzonitrile
Classification nitrile herbicides

Properties (Source:PubChem)

Molecular Weight 276.9
Physical State Colourles crystalline solid
AlogP 2.963
H-Bond Donor 1
H-Bond Acceptor 2
Surface Area 193.65
Polar Surface Area 44.02

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 Chronic 96 hour NOEC, growth 3.13 mg l-1
Algae Acute 72 hour EC50, growth 0.12 mg l-1
Aquatic invertebrates Acute 48 hour EC50 12.5 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 3.1 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.033 mg l-1
Birds Acute LD50 217 mg kg-1
Birds Short term dietary LC50/LD50 1380 mg/kg feed
Earthworms Acute 14 day LD50 45 mg kg-1
Fish Chronic 21 day NOEC 2 mg l-1
Fish Acute 96 hour LC50 29.2 mg l-1
Honeybees Acute 48 hour LD50 5 μg bee-1
Mammals Acute oral LD50 81 mg kg-1
Mammals Short term dietary NOEL 16.6 mg kg-1
Mammals Short term dietary NOEL 100 ppm diet

Related targets

Target Name RScore (About this table)
nitrilase (protein family or complex) 371(1,8,17,36) Details
protein is 81(1,1,1,1) Details
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