bromopropylate

Identification (Source:EPA,EU)

ID 109
Name bromopropylate
CAS 18181-80-1
IUPAC isopropyl 4,4′-dibromobenzilate
Inchi InChI=1S/C17H16Br2O3/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 503
EPA Code 028802
Formula C17H16Br2O3
SMILES CC(C)OC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O
Status Not Approved

Classification

Mode of Action Non systemic with contact action and residual activity
Pesticide Type Acaricide
Chemical Group Benzilate
Classification bridged diphenyl acaricides

Properties (Source:PubChem)

Molecular Weight 428.1
Physical State White crystals
AlogP 4.837
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 338.48
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 52 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.17 mg l-1
Birds Acute LD50 2000 mg kg-1
Earthworms Acute 14 day LD50 1000 mg kg-1
Fish Acute 96 hour LC50 0.35 mg l-1
Honeybees Acute 48 hour LD50 183 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 1050

Related targets

Target Name RScore (About this table)
ATPase 12(0,0,1,7) Details
cytochrome P450 (protein family or complex) 8(0,0,1,3) Details
C18 3(0,0,0,3) Details
CYP19 2(0,0,0,2) Details
Docunmentation of Network Visuallization

Network initializing...Please wait

Node List

ID Name Type

Legend:

: Current entry node; : Target node; : Compound node;