chlorothalonil

Identification (Source:EPA,EU)

ID 480
Name chlorothalonil
CAS 1897-45-6
IUPAC tetrachloroisophthalonitrile
Inchi InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
CIPAC 288
EPA Code 081901
Formula C8Cl4N2
SMILES Clc1c(C#N)c(Cl)c(C#N)c(Cl)c1Cl
Status Approved

Classification

Mode of Action Non-systemic, broad-spectrum, foliar action with some protectant properties. Acts by preventing spore germination and zoospore motility
Pesticide Type Fungicide
Chemical Group Chloronitrile
Classification aromatic fungicides

Properties (Source:PubChem)

Molecular Weight 265.91
Physical State White crystals
AlogP 4.245
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 235.25
Polar Surface Area 47.58

Structure



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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 0.033 mg l-1
Algae Acute 72 hour EC50, growth 0.21 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.009 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.084 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.29 mg l-1
Birds Acute LD50 > 2000 mg kg-1
Birds Short term dietary LC50/LD50 > 5200 mg/kg feed
Earthworms Chronic 14 day NOEC, reproduction 25.0 mg kg-1
Earthworms Acute 14 day LD50 268.5 mg kg-1
Fish Chronic 21 day NOEC 0.003 mg l-1
Fish Acute 96 hour LC50 0.038 mg l-1
Honeybees Acute 48 hour LD50 > 40 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
Mammals Short term dietary NOEL 10 ppm diet
Mammals Short term dietary NOEL 3 mg kg-1
Sediment dwelling organisms Acute 96 hour LC50 0.061 mg l-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.04 mg kg-1
Bio-concentration factor BCF 100
Bio-concentration factor CT50 5 days

Related targets

Target Name RScore (About this table)
MAPK (protein family or complex) 82(1,1,1,2) Details
Bravo 64(0,1,6,9) Details
ErbB 2 34(0,1,1,4) Details
DTNB 31(0,1,1,1) Details
PC 3 31(0,1,1,1) Details
C18 26(0,0,3,11) Details
glutathione S transferase 18(0,0,2,8) Details
NS1 11(0,0,1,6) Details
catalase 9(0,0,1,4) Details
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