5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile
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![5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c7ce3e2e0d7f43deb35e5a1ae572b1be.png "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile")
5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile
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CAS No:
120068-79-3
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Formula:
C11H5Cl2F3N4
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Chemical Name:
5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile
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Synonyms:
1H-Pyrazole-3-carbonitrile,5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-;5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile;5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole;5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyanopyrazole;1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-5-aminopyrazole;5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole;Fipronil-detrifluoromethylsulfinyl
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CAS No:
5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile Basic Attributes
321.09
321.09
601-665-5
DTXSID20391260
2933199090
Characteristics
67.6
3.7
solid powder
1.65±0.1 g/cm3(Predicted)
132-141 °C
433.0±45.0 °C(Predicted)
215.6±28.7 °C
1.620
1.06E-07mmHg at 25°C
Safety Information
P273, P391, P501
H411
|H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P273, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P314, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|Warning|H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile Use and Manufacturing
The preparation method uses 2, 6-dichloro-4-trifluoromethylaniline as a raw material to obtain a diazonium salt through a diazotization reaction. The diazonium salt is condensed with ethyl dicyanopropionate and then the ring is closed. , Namely 5-amino-3-cyano-1-(2, 6-dichloro-4-trifluoromethylphenyl)pyrazole. Add sulfuric acid and solvent into the reaction flask, add sodium nitrite in batches with stirring, stir for 30min after the addition, add 2, 6-dichloro-4-trifluoromethylaniline dropwise at 20～40℃, and stir for 1h To obtain the diazonium salt of 2, 6-dichloro-4-trifluoromethylaniline. Add water and ethyl 2, 3-dicyanopropionate to the diazonium salt, stir at room temperature for 2h, add dichloromethane, stir evenly, transfer the materials to a separatory funnel, separate the water layer, and use Extract with dichloromethane, combine the dichloromethane solution, wash with water, then wash with dilute alkali to pH=9, transfer to the reaction flask, add ammonia water, stir at room temperature for 2h, then separate the layers, extract the aqueous layer with dichloromethane, and combine the dichloromethane The methane layer is washed with water until it is neutral, and the dichloromethane is evaporated to obtain the product.
5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole, abbreviated as pyrazole, is an intermediate of the insecticide fipronil.
Computed Properties
Molecular Weight:321.08
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:319.9843361
Monoisotopic Mass:319.9843361
Topological Polar Surface Area:67.6
Heavy Atom Count:20
Complexity:398
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile
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