fipronil
Identification (Source:EPA,EU)
ID |
262 |
Name |
fipronil |
CAS |
120068-37-3 |
IUPAC |
|
Inchi |
InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2 |
CIPAC |
581 |
EPA Code |
|
Formula |
C12H4Cl2F6N4OS |
SMILES |
FC(F)(F)S(=O)c2c(C#N)nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N |
Status |
Approved |
Classification
Properties (Source:PubChem)
Molecular Weight |
437.15 |
Physical State |
White powder |
AlogP |
5.579 |
H-Bond Donor |
1 |
H-Bond Acceptor |
4 |
Surface Area |
347.58 |
Polar Surface Area |
103.91 |
Structure
Ecotoxicology (Source:PPDB,IPM)
Species |
Method |
Study Time |
Dose Type |
Value |
Algae |
Acute |
72 hour |
EC50, growth |
0.068 mg l-1 |
Aquatic crustaceans |
Acute |
96 hour |
LC50 |
0.00014 mg l-1 |
Aquatic invertebrates |
Acute |
48 hour |
EC50 |
0.19 mg l-1 |
Aquatic invertebrates |
Chronic |
21 day |
NOEC |
0.068 mg l-1 |
Aquatic plants |
Acute |
7 day |
EC50, biomass |
0.16 mg l-1 |
Birds |
Acute |
|
LD50 |
11.3 mg kg-1 |
Earthworms |
Chronic |
14 day |
NOEC, reproduction |
500 mg kg-1 |
Earthworms |
Acute |
14 day |
LD50 |
> 500 mg kg-1 |
Fish |
Chronic |
21 day |
NOEC |
0.015 mg l-1 |
Fish |
Acute |
96 hour |
LC50 |
0.248 mg l-1 |
Honeybees |
Acute |
48 hour |
LD50 |
0.00417 μg bee-1 |
Mammals |
Acute oral |
|
LD50 |
92 mg kg-1 |
Mammals |
Short term dietary |
|
NOEL |
0.35 mg kg-1 |
Sediment dwelling organisms |
Chronic |
28 day |
NOEC, sediment |
0.0001 mg kg-1 |
Sediment dwelling organisms |
Chronic |
28 day |
NOEC, sediment |
0.0002 mg kg-1 |
|
Bio-concentration factor |
|
CT50 |
3 days |
|
Bio-concentration factor |
|
BCF |
321 |
Related targets
Target Name |
RScore (About this table) |
|
GABA receptor (protein family or complex)
|
1862(15,32,42,102) |
Details |
chloride channel (protein family or complex)
|
762(8,10,13,47) |
Details |
CYP3A4
|
435(4,7,9,15) |
Details |
cytochrome P450 (protein family or complex)
|
208(2,3,5,8) |
Details |
CYP2B6
|
169(2,2,3,4) |
Details |
glycine receptor (protein family or complex)
|
83(1,1,1,3) |
Details |
demethylase
|
83(1,1,1,3) |
Details |
caspase 3
|
82(1,1,1,2) |
Details |
glutamate receptor
|
82(1,1,1,2) |
Details |
CYP2C19
|
81(1,1,1,1) |
Details |
microsomal monooxygenases
|
81(1,1,1,1) |
Details |
glutathione transferase
|
81(1,1,1,1) |
Details |
GABA at
|
81(1,1,1,1) |
Details |
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