Chlorfenapyr supplier | CasNO.122453-73-0

Name
Chlorfenapyr
EINECS
CAS No. 122453-73-0
Article Data17
CAS DataBase
Density 1.53 g/cm³
Solubility Insoluble in water
Melting Point 100.5oC
Formula C₁₅H₁₁BrClF₃N₂O
Boiling Point 443.5 °C at 760 mmHg
Molecular Weight 407.617
Flash Point 222 °C
Transport Information UN 2811
Appearance off-white to light brown powder with an halide odor
Safety 13-36/37-45-60-61
Risk Codes 22-23-50/53
Molecular Structure
Hazard Symbols T,N
Synonyms 4-Bromo-2-(p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile;AC 303630;CL 303630;4-bromo-2-(4-chlorophenyl)-1-ethoxymethyl-5-trifluoromethyl-1H-pyrrole-3-carbonitrile;Intrepid;
PSA 37.95000
LogP 5.45548

Synthetic route

: 122454-29-9
tralopyril

: 3188-13-4
ethyl chloromethyl ether

: 122453-73-0
chlorfenapyr

Conditions

Conditions	Yield
Stage #1: tralopyril With sodium hydroxide at 20℃; for 0.333333h; Stage #2: ethyl chloromethyl ether at 60℃; for 2h; Reagent/catalyst; Temperature;	98%
Stage #1: tralopyril With sodium hydroxide at 20℃; for 0.333333h; Stage #2: ethyl chloromethyl ether at 60℃; for 2h; Reagent/catalyst; Temperature;	98%
In tetrahydrofuran

: 462-95-3
formaldehyde diethyl acetal

: 122454-29-9
tralopyril

: 122453-73-0
chlorfenapyr

Conditions

Conditions	Yield
Stage #1: formaldehyde diethyl acetal; tralopyril With trichlorophosphate In toluene at 97℃; for 0.5h; Stage #2: With triethylamine In toluene at 97℃; for 5h;	92.3%
Stage #1: formaldehyde diethyl acetal; tralopyril With trichlorophosphate In toluene at 97℃; for 0.5h; Stage #2: With triethylamine In toluene at 97℃; for 5h;	92.3%
Stage #1: formaldehyde diethyl acetal; tralopyril With trichlorophosphate In N,N-dimethyl-formamide; toluene at 35 - 53℃; for 0.666667h; Inert atmosphere; Stage #2: With triethylamine In N,N-dimethyl-formamide; toluene at 35 - 45℃; for 2h;
Stage #1: formaldehyde diethyl acetal; tralopyril With trichlorophosphate In toluene at 45 - 65℃; for 1h; Stage #2: With N-ethyl-N,N-diisopropylamine In toluene at 40 - 50℃; for 1h; Reagent/catalyst;

dimethylformamide [DMF]: dimethylformamide [DMF]

: 462-95-3
formaldehyde diethyl acetal

: 122454-29-9
tralopyril

: 122453-73-0
chlorfenapyr

Conditions

Conditions	Yield
With triethylamine; trichlorophosphate In water; toluene

...Expand

: 4-bromo-1-(chloromethyl)-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile

: 122453-73-0
chlorfenapyr

Conditions

Conditions	Yield
With sodium ethanolate In ethanol

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 122453-73-0
chlorfenapyr

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: triethylamine; trichlorophosphate / 5 h / 65 °C 2.1: 20 °C / Reflux 3.1: acetic acid; sodium acetate; bromine / 2.17 h / 90 - 110 °C 4.1: sodium hydroxide / 0.33 h / 20 °C 4.2: 2 h / 60 °C View Scheme
Multi-step reaction with 4 steps 1.1: triethylamine; trichlorophosphate / 5 h / 65 °C 2.1: 20 °C / Reflux 3.1: acetic acid; sodium acetate; bromine / 2.17 h / 90 - 110 °C 4.1: trichlorophosphate / toluene / 0.5 h / 97 °C 4.2: 5 h / 97 °C View Scheme

: 122460-66-6
4-(p-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-one

: 122453-73-0
chlorfenapyr

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 20 °C / Reflux 2.1: acetic acid; sodium acetate; bromine / 2.17 h / 90 - 110 °C 3.1: sodium hydroxide / 0.33 h / 20 °C 3.2: 2 h / 60 °C View Scheme
Multi-step reaction with 3 steps 1.1: 20 °C / Reflux 2.1: acetic acid; sodium acetate; bromine / 2.17 h / 90 - 110 °C 3.1: trichlorophosphate / toluene / 0.5 h / 97 °C 3.2: 5 h / 97 °C View Scheme

: 122454-23-3
2-(p-chlorophenyl)-5-(trifluoromethyl)-pyrrole-3-carbonitrile

: 122453-73-0
chlorfenapyr

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: acetic acid; sodium acetate; bromine / 2.17 h / 90 - 110 °C 2.1: sodium hydroxide / 0.33 h / 20 °C 2.2: 2 h / 60 °C View Scheme
Multi-step reaction with 2 steps 1.1: acetic acid; sodium acetate; bromine / 2.17 h / 90 - 110 °C 2.1: trichlorophosphate / toluene / 0.5 h / 97 °C 2.2: 5 h / 97 °C View Scheme

: 4-diazo-2-tosyl-1,4-dihydroisoquinolin-3(2H)-one

: 122453-73-0
chlorfenapyr

: 2-(4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrol-3-yl)-4-tosyl-4,5-dihydrooxazolo[5,4-c]isoquinoline

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In dichloromethane at 35℃; Schlenk technique;	47%

: 122453-73-0
chlorfenapyr

A: 2-(p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile

B: 2-(4-chlorophenyl)-1-(ethoxymethyl)-4-fluoro-5-(trifluoromethyl)pyrrole-3-carbonitrile

Conditions

Conditions	Yield
With tert.-butyl lithium; N-fluorobis(benzenesulfon)imide 1.) THF, pentane, -78 deg C, 0.5 h, 2.) THF, pentane, a) -78 deg C, 1 h, b) RT, 3 h; Yield given. Multistep reaction. Yields of byproduct given;

Chlorfenapyr Chemical Properties

Molecular structure of Chlorfenapyr (CAS NO.122453-73-0) is:

Product Name: Chlorfenapyr
CAS Registry Number: 122453-73-0
IUPAC Name: 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
Molecular Formula: C₁₅H₁₁BrClF₃N₂O
Molecular Weight: 407.61285 [g/mol]
XLogP3-AA: 4.5
H-Bond Donor: 0
H-Bond Acceptor: 5
Storage temp.: 0-6°C
Surface Tension: 38.8 dyne/cm
Density: 1.53 g/cm³
Flash Point: 222 °C
Enthalpy of Vaporization: 70.12 kJ/mol
Boiling Point: 443.5 °C at 760 mmHg
Vapour Pressure: 4.6E-08 mmHg at 25°C
Product Categories: Fungicide;INSECTICIDE

Chlorfenapyr Uses

Chlorfenapyr (CAS NO.122453-73-0) is mainly used as a kind of insecticide.

Chlorfenapyr Toxicity Data With Reference

1.	orl-rat LD₅₀:441 mg/kg	HBPTO* Handbook of pesticide toxicology. 2 (2001),1229.
2.	orl-mus LD₅₀:55 mg/kg	HBPTO* Handbook of pesticide toxicology. 2 (2001),1229.
3.	orl-qal LD₅₀:34 mg/kg	HBPTO* Handbook of pesticide toxicology. 2 (2001),1229.
4.	orl-dck LD₅₀:10 mg/kg	HBPTO* Handbook of pesticide toxicology. 2 (2001),1229.
5.	ihl-rat LC₅₀:1900 mg/m3	HBPTO* Handbook of pesticide toxicology. 2 (2001),1229.

Chlorfenapyr Safety Profile

A poison by ingestion. Moderately toxic by inhalation. Questionable carcinogen with experimental data reported. When heated to decomposition it emits toxic vapors of NO_x, F⁻, and Cl⁻.

Hazard Codes: Toxic T, Dangerous N
Risk Statements: 22-23-50/53
R22:Harmful if swallowed.
R23 :Toxic by inhalation.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 13-36/37-45-60-61
S13:Keep away from food, drink and animal foodstuffs.
S36/37:Wear suitable protective clothing and gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 2811

Chlorfenapyr Specification

Chlorfenapyr , its cas register number is 122453-73-0. It also can be called 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrol-3-carbonitrile ; Alert ; Sunfire ; Citrex ; Intrepid ; 4-bromo-2-(4-chlorophenyl)-1-ethoxymethyl-5-trifluoromethylpyrrole-3-carbonitrile ; 4-bromo-2-(4-chlorophenyl)-1-ethoxymethyl-5-trifluoromethyl-1H-pyrrole-3-carbonitrile ,and so on. It is usually off-white to light brown powder with an halide odor.

Product Name

Chlorfenapyr

Synthetic route

Chlorfenapyr Chemical Properties

Chlorfenapyr Uses

Chlorfenapyr Toxicity Data With Reference

Chlorfenapyr Safety Profile

Chlorfenapyr Specification

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