benfuresate

Identification (Source:EPA,EU)

ID 874
Name benfuresate
CAS 68505-69-1
IUPAC 2,3-dihydro-3,3-dimethylbenzofuran-5-yl ethanesulfonate
Inchi InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3
CIPAC 8026
EPA Code
Formula C12H16O4S
SMILES O=S(=O)(Oc2cc1c(OCC1(C)C)cc2)CC
Status Not Approved

Classification

Mode of Action Inhibits lipid synthesis
Pesticide Type Herbicide
Chemical Group Benzofuran
Classification benzofuranyl alkylsulfonate herbicides

Properties (Source:PubChem)

Molecular Weight 256.3
Physical State Off-white crystals
AlogP 2.388
H-Bond Donor 0
H-Bond Acceptor 4
Surface Area 242.22
Polar Surface Area 60.98

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 3.8 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 12.6 mg l-1
Aquatic invertebrates Acute 48 hour EC50 35.4 mg l-1
Birds Acute LD50 10000 mg kg-1
Earthworms Acute 14 day LD50 734 mg kg-1
Fish Acute 96 hour LC50 12.3 mg l-1
Mammals Acute oral LD50 > 4000 mg kg-1
Mammals Short term dietary NOEL 3.1 mg kg-1
Mammals Short term dietary NOEL 60 ppm diet
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 22
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