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Cas Database |
| Name |
Chlorfenapyr |
EINECS | N/A |
| CAS No. | 122453-73-0 | Density | 1.53 g/cm3 |
| PSA | 37.95000 | LogP | 5.45548 |
| 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; |
Article Data | 17 |
Chlorfenapyr Synthetic route
| 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 |
| 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; |
| Conditions | Yield |
|---|---|
| With triethylamine; trichlorophosphate In water; toluene |
- 122453-73-0
chlorfenapyr
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol |
- 6212-33-5
2-(4-Chlorophenyl)glycine
- 122453-73-0
chlorfenapyr
| 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 | 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 | 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 |
- 122453-73-0
chlorfenapyr
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid In dichloromethane at 35℃; Schlenk technique; | 47% |
- 122453-73-0
chlorfenapyr
| 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 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 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.
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