Fipronil supplier | CasNO.120068-37-3

Name
Fipronil
EINECS 424-610-5
CAS No. 120068-37-3
Article Data38
CAS DataBase
Density 1.87 g/cm³
Solubility 1.9-2.4 mg 1l-1 (20 °C）
Melting Point 200-201 ºC
Formula C₁₂H₄Cl₂F₆N₄OS
Boiling Point 510.1 ºC at 760 mmHg
Molecular Weight 437.152
Flash Point 262.3 ºC
Transport Information
Appearance clear colorless or slightly yellow liquid
Safety S26-36/37/39-45-60-61
Risk Codes 23/24/25-48/25-50/53-55-57
Molecular Structure
Hazard Symbols T,N
Synonyms 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile;MB 46030;RM 1601;Fipronil (JAN);1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-;Fluocyanobenpyrazole;Fipronil 95%TC;
PSA 103.91000
LogP 5.72608

Synthetic route

: 20621-29-8
trifluoromethylsulfinyl chloride

: 120068-79-3
5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole

: 120068-37-3
fipronil

Conditions

Conditions	Yield
With dimethylamine p-toluenesulfonate for 10h; Heating;	99%
With dimethylamine p-toluenesulfonate at 50℃; for 8h;	92%
With benzyltrimethylammonium chloride In 1,2-dichloro-ethane at 35℃; for 2h; Temperature; Industrial scale;	90.3%

: 120067-83-6
5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylthio)-1H-pyrazole-3-carbonitrile

: 120068-37-3
fipronil

Conditions

Conditions	Yield
Stage #1: 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylthio)-1H-pyrazole-3-carbonitrile With dichloro-acetic acid; sulfuric acid at 15℃; for 0.5h; Stage #2: With dihydrogen peroxide In water at 15℃; Product distribution / selectivity;	98%
With caro's acid In dichloromethane at 0 - 5℃; Reagent/catalyst; Industrial scale;	97.9%
With dihydrogen peroxide In dichloro-acetic acid; water; trichloroacetic acid at 20℃; for 2h; Product distribution / selectivity;	95%

: 120067-83-6
5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylthio)-1H-pyrazole-3-carbonitrile

A: 120068-37-3
fipronil

B: 120068-36-2
fipronil sulfone

Conditions

Conditions	Yield
With dihydrogen peroxide; trifluoroacetic acid In dichloromethane at 10 - 12℃; for 3h;	A 96% B n/a
Stage #1: 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylthio)-1H-pyrazole-3-carbonitrile With trifluoroacetic acid for 0.25h; Stage #2: With Oxone at -15℃; Product distribution / selectivity;	A 55.4% B n/a
Stage #1: 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylthio)-1H-pyrazole-3-carbonitrile With trifluoroacetic acid for 0.25h; Industry scale; Stage #2: With Oxone at -15℃; Product distribution / selectivity; Industry scale;

: 20621-29-8
trifluoromethylsulfinyl chloride

: 2840-22-4
dimethylamine p-toluenesulfonate

: 120068-79-3
5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole

: 120068-37-3
fipronil

Conditions

Conditions	Yield
In water; toluene	88%

...Expand

: 2926-29-6
Langlois reagent

: 120068-79-3
5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole

: 120068-37-3
fipronil

Conditions

Conditions	Yield
With trichlorophosphate; dimethylamine p-toluenesulfonate at 40℃; for 14h; Product distribution / selectivity;	80.2%
With thionyl chloride; dimethylamine p-toluenesulfonate at 40℃; for 10h; Product distribution / selectivity;	74.8%
Stage #1: Langlois reagent With thionyl chloride; dimethylamine p-toluenesulfonate In toluene at 0 - 5℃; for 0.5h; Stage #2: 5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole In toluene at 5 - 50℃; for 6.08333h; Product distribution / selectivity;	73%

: 41804-89-1
potassium triflinate

: 120068-79-3
5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole

: 120068-37-3
fipronil

Conditions

Conditions	Yield
Stage #1: potassium triflinate With thionyl chloride; triethylamine hydrochloride In toluene at 0 - 5℃; for 0.5 - 0.833333h; Stage #2: 5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole In toluene at 5 - 35℃; for 11.75h; Product distribution / selectivity;	66%
Stage #1: potassium triflinate With thionyl chloride; pyridine hydrochloride In toluene at 0 - 5℃; for 0.833333h; Stage #2: 5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole In toluene at 5 - 35℃; for 11.75h; Product distribution / selectivity;
Stage #1: potassium triflinate With thionyl chloride; trimethylamine hydrochloride In toluene at 0 - 5℃; for 0.833333h; Stage #2: 5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole In toluene at 5 - 35℃; for 11.75h; Product distribution / selectivity;

: 208652-17-9
5-amino-4-trifluoromethylsulfinyl-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-thiocarbamoylpyrazole

: 120068-37-3
fipronil

Conditions

Conditions	Yield
With hydrogenchloride In water; acetonitrile Product distribution / selectivity;
In water; acetonitrile Product distribution / selectivity; fluorescent light;
In water; acetonitrile at 65℃; Product distribution / selectivity;

: 7446-09-5
sulfur dioxide

: 120067-83-6
5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylthio)-1H-pyrazole-3-carbonitrile

: 120068-37-3
fipronil

Conditions

Conditions	Yield
With dihydrogen peroxide; boric acid; trifluoroacetic acid In chlorobenzene

: 120067-94-9
5-amino-3-bromo-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylthiopyrazole

A: 120068-43-1
5-amino-3-bromo-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulphinylpyrazole

B: 120068-37-3
fipronil

: 34642-42-7
trifluoromethanesulfinic acid

: 120068-79-3
5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole

: 120068-37-3
fipronil

Conditions

Conditions	Yield
Stage #1: trifluoromethanesulfinic acid With thionyl chloride; triethylamine In toluene at 0 - 5℃; for 0.5h; Stage #2: 5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole; triethylamine hydrochloride In toluene at 50℃; for 6h; Product distribution / selectivity;
With thionyl chloride; N,N-dimethylisopropyl amine; potassium chloride; isopropyl-dimethyl-amine; hydrochloride In ethylbenzene at 0 - 35℃; for 11.75h; Inert atmosphere;

: 24279-39-8
2,6-dichloro-4-(trifluoromethyl)aniline

: 120068-37-3
fipronil

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: nitrosylsulfuric acid; acetic acid / 30 - 55 °C 1.2: 0 - 15 °C 2.1: dichloromethane 3.1: boric acid; trichloroacetic acid; dihydrogen peroxide / chlorobenzene; water / 20 h / 15 - 20 °C View Scheme

: 328-84-7
1,2-dichloro-4-(trifluoromethyl)benzene

: 120068-37-3
fipronil

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: dimethylsulfone; potassium fluoride; ammonia / 6 h / 30 - 235 °C / 18751.9 - 19502 Torr / Autoclave 2.1: sulfuryl dichloride; 1-methyl-pyrrolidin-2-one / 1-methyl-pyrrolidin-2-one; chlorobenzene / 8 h / 55 - 60 °C 3.1: nitrosylsulfuric acid; acetic acid / 30 - 55 °C 3.2: 0 - 15 °C 4.1: dichloromethane 5.1: boric acid; trichloroacetic acid; dihydrogen peroxide / chlorobenzene; water / 20 h / 15 - 20 °C View Scheme
Multi-step reaction with 5 steps 1.1: 1-methyl-pyrrolidin-2-one; potassium fluoride; ammonia / 10 h / 245 - 250 °C / 22502.3 - 30003 Torr / Autoclave 2.1: sulfuryl dichloride; 1-methyl-pyrrolidin-2-one / 1-methyl-pyrrolidin-2-one; chlorobenzene / 8 h / 55 - 60 °C 3.1: nitrosylsulfuric acid; acetic acid / 30 - 55 °C 3.2: 0 - 15 °C 4.1: dichloromethane 5.1: boric acid; trichloroacetic acid; dihydrogen peroxide / chlorobenzene; water / 20 h / 15 - 20 °C View Scheme

Yield

Multi-step reaction with 5 steps
1.1: dimethylsulfone; potassium fluoride; ammonia / 6 h / 30 - 235 °C / 18751.9 - 19502 Torr / Autoclave
2.1: sulfuryl dichloride; 1-methyl-pyrrolidin-2-one / 1-methyl-pyrrolidin-2-one; chlorobenzene / 8 h / 55 - 60 °C
3.1: nitrosylsulfuric acid; acetic acid / 30 - 55 °C
3.2: 0 - 15 °C
4.1: dichloromethane
5.1: boric acid; trichloroacetic acid; dihydrogen peroxide / chlorobenzene; water / 20 h / 15 - 20 °C
View Scheme

Multi-step reaction with 5 steps
1.1: 1-methyl-pyrrolidin-2-one; potassium fluoride; ammonia / 10 h / 245 - 250 °C / 22502.3 - 30003 Torr / Autoclave
2.1: sulfuryl dichloride; 1-methyl-pyrrolidin-2-one / 1-methyl-pyrrolidin-2-one; chlorobenzene / 8 h / 55 - 60 °C
3.1: nitrosylsulfuric acid; acetic acid / 30 - 55 °C
3.2: 0 - 15 °C
4.1: dichloromethane
5.1: boric acid; trichloroacetic acid; dihydrogen peroxide / chlorobenzene; water / 20 h / 15 - 20 °C
View Scheme

: 39885-50-2
2-chloro-4-(trifluoromethyl)aniline

: 120068-37-3
fipronil

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sulfuryl dichloride; 1-methyl-pyrrolidin-2-one / 1-methyl-pyrrolidin-2-one; chlorobenzene / 8 h / 55 - 60 °C 2.1: nitrosylsulfuric acid; acetic acid / 30 - 55 °C 2.2: 0 - 15 °C 3.1: dichloromethane 4.1: boric acid; trichloroacetic acid; dihydrogen peroxide / chlorobenzene; water / 20 h / 15 - 20 °C View Scheme

: 7722-84-1
dihydrogen peroxide

: 120067-83-6
5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylthio)-1H-pyrazole-3-carbonitrile

: 120068-37-3
fipronil

Conditions

Conditions	Yield
With hydrogenchloride; sodium tungstate In water; 1,2-dichloro-ethane at 2 - 8℃; Large scale;

: 122-51-0
orthoformic acid triethyl ester

: 120068-37-3
fipronil

: 3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-5-ethoxymethylideneamino-4-trifluoromethylsulfinylpyrazole

Conditions

Conditions	Yield
	99%
	99%

: 555-16-8
4-nitrobenzaldehdye

: 120068-37-3
fipronil

: 1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-((4-nitro-benzylidene)amino)-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carbonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 200℃; for 3h; Temperature; Time; Molecular sieve; High pressure; Sonication; Autoclave; Sealed tube;	98.9%

: 109-69-3
n-Butyl chloride

: 120068-37-3
fipronil

: N-5-butylamino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinyl-1H-pyrazole

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 80℃; for 8h; Sonication;	96.7%

: 459-57-4
4-fluorobenzaldehyde

: 120068-37-3
fipronil

: 1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-(4-fluorobenzylideneamino)-4-(trifluoromethylsulfinyl)-1H-pyrazole-3-carbonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 200℃; for 3h; Temperature; Time; Molecular sieve; High pressure; Sonication; Autoclave; Sealed tube;	96.5%
With toluene-4-sulfonic acid In chlorobenzene for 1h; Molecular sieve; Microwave irradiation; Sealed tube;	73%

: 1694-92-4
2-Nitrobenzenesulfonyl chloride

: 120068-37-3
fipronil

: 1225373-70-5
C18H7Cl2F6N5O5S2

Conditions

Conditions	Yield
With sodium hydride In ethyl acetate at 0 - 20℃;	96%
With sodium hydride In ethyl acetate at 2 - 20℃; for 4h;	79.3%

: 110-52-1
1,4-dibromo-butane

: 120068-37-3
fipronil

: N-bis(1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinyl-1H-pyrazol-5ylamino)butyl

Conditions

Conditions	Yield
With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 3h; Sonication; Microwave irradiation; Heating;	95.2%

: 1014394-95-6
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(4-bromophenylsulfonylamino)-1H-pyrazole-3-carbonitrile

: 120068-37-3
fipronil

: 1225373-68-1
C18H7BrCl2F6N4O3S2

Conditions

Conditions	Yield
With sodium hydride In ethyl acetate at 0 - 20℃;	95%

: 100-52-7
benzaldehyde

: 120068-37-3
fipronil

: 5-(benzylideneamino)-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfinyl)-1H-pyrazole-3-carbonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 200℃; for 3h; Temperature; Time; Molecular sieve; High pressure; Sonication; Autoclave; Sealed tube;	94.8%
With toluene-4-sulfonic acid In toluene for 1h; Reagent/catalyst; Molecular sieve; Microwave irradiation; Sealed tube;	84%

: 55854-46-1
5-bromo-2-thiophenesulfonyl chloride

: 120068-37-3
fipronil

: C16H5BrCl2F6N4O3S3

Conditions

Conditions	Yield
With sodium hydride In ethyl acetate at 0 - 20℃;	93%

: 109-65-9
1-bromo-butane

: 120068-37-3
fipronil

: N-5-butylamino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinyl-1H-pyrazole

Conditions

Conditions	Yield
With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 3h; Time; Sonication; Microwave irradiation; Heating;	92.6%
With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 1h;	92.6%

: 104-87-0
4-methyl-benzaldehyde

: 120068-37-3
fipronil

: 1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-((4-methylbenzylidene)amino)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carbonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 200℃; for 3h; Temperature; Time; Molecular sieve; High pressure; Sonication; Autoclave; Sealed tube;	92.6%

: 591-31-1
3-methoxy-benzaldehyde

: 120068-37-3
fipronil

: 1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-((3-methoxybenzylidene)amino)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carbonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 200℃; for 3h; Temperature; Time; Molecular sieve; High pressure; Sonication; Autoclave; Sealed tube;	91.8%

: 105-36-2
ethyl bromoacetate

: 120068-37-3
fipronil

: 1430089-22-7
ethyl N-[3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)-phenyl]-4-[(trifluoromethyl)-sulfinyl]-1H-pyrazol-5-yl]-aminoacetate

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 20℃; for 3h; Cooling with ice;	91%

: 4070-75-1
1,4-diphenyl-but-2-ene-1,4-dione

: 120068-37-3
fipronil

: C28H15ClF6N4O3S

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 50℃;	91%

: 14077-58-8
ethoxyacetyl chloride

: 121-44-8
triethylamine

: 120068-37-3
fipronil

: 379215-14-2
triethylamine salt of 1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinyl-5-(ethoxyacetamido)pyrazole

Conditions

Conditions	Yield
In tetrahydrofuran at 60℃; for 1.5h;	90%

...Expand

: 98-09-9
benzenesulfonyl chloride

: 120068-37-3
fipronil

: 1225373-74-9
C18H8Cl2F6N4O3S2

Conditions

Conditions	Yield
With sodium hydride In ethyl acetate at 0 - 20℃;	90%

: 120068-37-3
fipronil

: 23055-10-9
1,4-dimethyl but-2-enedioate

: C18H11ClF6N4O5S

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 50℃;	90%

: 35076-92-7
1,4-bibromocyclohexane

: 120068-37-3
fipronil

: N-bis(1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinyl-1H-pyrazol-5-ylamino)cyclohexyl

Conditions

Conditions	Yield
With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 3h; Sonication; Microwave irradiation; Heating;	89.5%

: 623-24-5
1,4-bis(bromomethyl)benzene

: 120068-37-3
fipronil

: N-bis(1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinyl-1H-pyrazol-5ylamino)benzyl

Conditions

Conditions	Yield
With potassium hydroxide In toluene at 20℃; for 3h; Sonication; Microwave irradiation; Heating;	89.3%

: 135-02-4
ortho-anisaldehyde

: 120068-37-3
fipronil

: 1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-((2-methoxybenzylidene)amino)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carbonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 200℃; for 3h; Temperature; Time; Molecular sieve; High pressure; Sonication; Autoclave; Sealed tube;	88.7%

: 98-59-9
p-toluenesulfonyl chloride

: 120068-37-3
fipronil

: 1225373-72-7
C19H10Cl2F6N4O3S2

Conditions

Conditions	Yield
With sodium hydride In ethyl acetate at 0 - 20℃;	88%

: C7H12O7S

: 120068-37-3
fipronil

: C18H11ClF6N4O5S

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 50℃;	88%

: 123-11-5
4-methoxy-benzaldehyde

: 120068-37-3
fipronil

: 1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-((4-methoxybenzylidene)amino)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carbonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 200℃; for 3h; Temperature; Time; Molecular sieve; High pressure; Sonication; Autoclave; Sealed tube;	87.4%
With toluene-4-sulfonic acid In 1,3,5-trimethyl-benzene for 1h; Molecular sieve; Microwave irradiation; Sealed tube;	78%

: 17299-97-7
α,α',α''-trichloromesitylene

: 120068-37-3
fipronil

: N-1,3,5-tri(1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinyl-1H-pyrazol-5ylamino)benzyl

Conditions

Conditions	Yield
With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 3h; Sonication; Microwave irradiation; Heating;	87.2%

: 14077-58-8
ethoxyacetyl chloride

: 120068-37-3
fipronil

: potassium salt of 1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinyl-5-(ethoxyacetamido)pyrazole

Conditions

Conditions	Yield
With potassium hydroxide In acetonitrile at -5℃; for 4h;	87%
Stage #1: ethoxyacetyl chloride; fipronil With triethylamine In tetrahydrofuran at 30℃; for 5h; Stage #2: With hydrogenchloride In tetrahydrofuran; dichloromethane; water pH=2; Stage #3: With potassium carbonate In tetrahydrofuran; dichloromethane; water	65%

: 553-90-2
Dimethyl oxalate

: 120068-37-3
fipronil

: N,N'-bis[3-cyano-4-trifluoromethylsulfinyl-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazolyl]ethanediamide

Conditions

Conditions	Yield
With sodium ethanolate In toluene at 120℃; for 12h; Temperature; Time;	86.5%

Fipronil Specification

The Fipronil, with the CAS registry number 120068-37-3,is also known as 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H- pyrazole-3-carbonitrile. It belongs to the product categories of pharmaceuticals;ectoparasiticide;api;insecticide. This chemical's molecular formula is C₁₂H₄Cl₂F₆N₄OS and molecular weight is 437.15.What's more,Its systematic name is 1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl) phenyl)-4-((trifluoromethyl)sulfinyl)-. It is a White SOlid which is a broad spectrum insecticide which actively disrupts the CNS of contacted insects by blocking the passage of chloride ions through GABA receptors.

Physical properties about Fipronil are:
(1)ACD/LogP: 3.975; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/LogD (pH 7.4): 3.98; (5)ACD/BCF (pH 5.5): 618.18; (6)ACD/BCF (pH 7.4): 618.18; (7)ACD/KOC (pH 5.5): 3463.23; (8)ACD/KOC (pH 7.4): 3463.23; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 81.858 cm³; (14)Molar Volume: 233.684 cm³; (15)Surface Tension: 52.9809989929199 dyne/cm; (16)Density: 1.871 g/cm³; (17)Flash Point: 262.271 °C; (18)Enthalpy of Vaporization: 78.073 kJ/mol; (19)Boiling Point: 510.054 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:FC(F)(F)S(=O)c2c(C#N)nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N;
(2)Std. 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;
(3)Std. InChIKey:ZOCSXAVNDGMNBV-UHFFFAOYSA-N.

Safety Information of Fipronil:
The Fipronil is toxic by inhalation, in contact with skin and if swallowed and toxic to fauna and bees. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment,it should be avoided release to the environment. Refer to special instructions / safety data sheets. When you use it, wear suitable protective clothing, gloves and eye/face protection.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) .This material and its container must be disposed of as hazardous waste.

Uses of Fipronil:
Fipronil is used as the active ingredient in Frontline Top Spot at about 9.8% concentration, and is used together with (S)-methoprene (8.8%) in Frontline Plus, a topical flea and tick control commonly used on dogs and cats. Fipronil(120068-37-3) kills adult fleas before they lay eggs.Fipronil(120068-37-3) is also the active ingredient in GardenTech's Over N Out season long fire ant control product.

Product Name

Fipronil

Synthetic route

Fipronil Specification

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