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CAS No.: | 122453-73-0 |
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Name: | Chlorfenapyr |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C15H11BrClF3N2O |
Molecular Weight: | 407.617 |
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; |
Density: | 1.53 g/cm3 |
Melting Point: | 100.5oC |
Boiling Point: | 443.5 °C at 760 mmHg |
Flash Point: | 222 °C |
Solubility: | Insoluble in water |
Appearance: | off-white to light brown powder with an halide odor |
Hazard Symbols: | T,N |
Risk Codes: | 22-23-50/53 |
Safety: | 13-36/37-45-60-61 |
Transport Information: | UN 2811 |
PSA: | 37.95000 |
LogP: | 5.45548 |
Conditions | Yield |
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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 |
Conditions | Yield |
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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; |
Conditions | Yield |
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With triethylamine; trichlorophosphate In water; toluene |
chlorfenapyr
Conditions | Yield |
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With sodium ethanolate In ethanol |
2-(4-Chlorophenyl)glycine
chlorfenapyr
Conditions | Yield |
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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 |
4-(p-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-one
chlorfenapyr
Conditions | Yield |
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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 |
2-(p-chlorophenyl)-5-(trifluoromethyl)-pyrrole-3-carbonitrile
chlorfenapyr
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 |
chlorfenapyr
Conditions | Yield |
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With trifluorormethanesulfonic acid In dichloromethane at 35℃; Schlenk technique; | 47% |
chlorfenapyr
Conditions | Yield |
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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; |
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 (CAS NO.122453-73-0) is mainly used as a kind of insecticide.
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. |
A poison by ingestion. Moderately toxic by inhalation. Questionable carcinogen with experimental data reported. When heated to decomposition it emits toxic vapors of NOx, F−, and Cl−.
Hazard Codes: T, 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 , 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.