trichlorfon

Identification (Source:EPA,EU)

ID 247
Name trichlorfon
CAS 52-68-6
IUPAC
Inchi InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
CIPAC 68
EPA Code 057901
Formula C4H8Cl3O4P
SMILES COP(=O)(C(C(Cl)(Cl)Cl)O)OC
Status Not Approved

Classification

Mode of Action Non-systemic with contact and stomach action. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Veterinary treatment
Chemical Group Organophosphate
Classification phosphonate insecticides
phosphonate acaricides

Properties (Source:PubChem)

Molecular Weight 257.4
Physical State Colourless to yellow or pink waxy solid
AlogP 0.753
H-Bond Donor 1
H-Bond Acceptor 4
Surface Area 224.93
Polar Surface Area 65.56

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 3.2 mg l-1
Algae Acute 72 hour EC50, growth 10 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.00096 mg l-1
Birds Acute LD50 > 36.8 mg kg-1
Fish Acute 96 hour LC50 0.7 mg l-1
Honeybees Acute 48 hour LD50 > 0.4 μg bee-1
Mammals Acute oral LD50 212 mg kg-1
Mammals Short term dietary NOEL > 4.5 mg kg-1
Mammals Short term dietary NOEL > 500 ppm diet
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
cholinesterases 978(6,12,17,293) Details
Acetylcholinesterase 636(3,8,11,231) Details
P450scc 193(2,3,3,3) Details
steroidogenic acute regulatory protein 162(2,2,2,2) Details
neurotoxic esterase 96(1,1,1,16) Details
superoxide dismutase 90(1,1,2,5) Details
CS2 88(1,1,2,3) Details
caspase 3 93(0,3,3,3) Details
caspase 12 62(0,2,2,2) Details
cytochrome c 62(0,2,2,2) Details
brains 38(0,1,1,8) Details
lactate dehydrogenase (protein family or complex) 35(0,1,1,5) Details
calcium channel (protein family or complex) 32(0,1,1,2) Details
ADAS 23(0,0,0,23) Details
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Node List

ID Name Type

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