bromethalin

Identification (Source:EPA,EU)

ID 1791
Name bromethalin
CAS 63333-35-7
IUPAC
Inchi InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3USMZPYXTVKAYST-UHFFFAOYSA-N
CIPAC 457
EPA Code 112802
Formula C14H7Br3F3N3O4
SMILES CN(C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2Br)Br)Br
Status Not Approved

Classification

Mode of Action Toxin attacking central nervous system
Pesticide Type Rodenticide
Chemical Group Unclassified
Classification unclassified rodenticides

Properties (Source:PubChem)

Molecular Weight 577.9
Physical State Pale yellow crystals
AlogP 6.562
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 406.49
Polar Surface Area 94.88

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
Aquatic invertebrates Acute 48 hour EC50 0.005 mg l-1
Birds Acute LD50 11.04 mg kg-1
Fish Acute 96 hour LC50 0.038 mg l-1
Mammals Acute oral LD50 2 mg kg-1
Bio-concentration factor BCF 120000
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
Nos 1 6(0,0,1,1) Details
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