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dichlobenil

Identification (Source:EPA,EU)

ID	972
Name	dichlobenil
CAS	1194-65-6
IUPAC	2,6-dichlorobenzonitrile
Inchi	InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
CIPAC	73
EPA Code	027401
Formula	C7H3Cl2N
SMILES	N#Cc1c(Cl)cccc1Cl
Status	Not Approved

Classification

Mode of Action	Systemic. Inhibition of cell wall synthesis.
Pesticide Type	Herbicide, Metabolite
Chemical Group	Benzonitrile
Classification	nitrile herbicides

Properties (Source:PubChem)

Molecular Weight	172.01
Physical State	White crystalline solid
AlogP	3.037
H-Bond Donor	0
H-Bond Acceptor	1
Surface Area	159.64
Polar Surface Area	23.79

Structure

Ecotoxicology (Source:PPDB,IPM)

Species	Method	Study Time	Dose Type	Value
Algae	Acute	72 hour	EC50, growth	111 mg l-1
Aquatic crustaceans	Acute	96 hour	LC50	1.74 mg l-1
Aquatic invertebrates	Chronic	21 day	NOEC	1.2 mg l-1
Aquatic invertebrates	Acute	48 hour	EC50	6.2 mg l-1
Aquatic plants	Acute	7 day	EC50, biomass	0.0279 mg l-1
Birds	Acute		LD50	698 mg kg-1
Birds	Short term dietary		LC50/LD50	> 5200 mg/kg feed
Earthworms	Acute	14 day	LD50	135 mg kg-1
Fish	Acute	96 hour	LC50	7.2 mg l-1
Fish	Chronic	21 day	NOEC	0.66 mg l-1
Honeybees	Acute	48 hour	LD50	11 μg bee-1
Mammals	Acute oral		LD50	> 2000 mg kg-1
Mammals	Short term dietary		NOEL	50 ppm diet
	Bio-concentration factor		BCF	100
	Bio-concentration factor		CT50	1.0 days

Related targets

Target Name	RScore (About this table)
cytochrome P450 (protein family or complex)	459(4,8,9,14)	Details
nitrilase (protein family or complex)	227(2,4,4,7)	Details
CYP2A	95(1,1,3,5)	Details
G alpha 11	89(1,1,2,4)	Details
G alpha q	89(1,1,2,4)	Details
cytochrome P450 2E1	88(1,1,2,3)	Details
apoprotein	87(1,1,2,2)	Details
cytochrome c	32(0,1,1,2)	Details
cytochrome b 5	32(0,1,1,2)	Details

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