chloropropylate

Identification (Source:EPA,EU)

ID 115
Name chloropropylate
CAS 5836-10-2
IUPAC isopropyl 4,4′-dichlorobenzilate
Inchi InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
CIPAC 120
EPA Code 026801
Formula C17H16Cl2O3
SMILES Clc1ccc(cc1)C(O)(c2ccc(Cl)cc2)C(=O)OC(C)C
Status Not Approved

Classification

Mode of Action Specific with contact action
Pesticide Type Insecticide
Chemical Group Bridged diphenyl
Classification bridged diphenyl acaricides

Properties (Source:PubChem)

Molecular Weight 338.21
Physical State
AlogP 4.669
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 317.78
Polar Surface Area 46.53

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
Birds Acute LD50 2500 mg kg-1
Fish Acute 96 hour LC50 0.45 mg l-1
Mammals Acute oral LD50 > 5000 mg kg-1
Bio-concentration factor BCF 4240
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
ATPase 12(0,0,1,7) Details
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