2-Chloro-4-trifluoromethylaniline
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2-Chloro-4-trifluoromethylaniline
structure -
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CAS No:
39885-50-2
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Formula:
C7H5ClF3N
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Chemical Name:
2-Chloro-4-trifluoromethylaniline
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Synonyms:
Benzenamine,2-chloro-4-(trifluoromethyl)-;2-Chloro-4-(trifluoromethyl)benzenamine;2-Chloro-α,α,α-trifluoro-p-toluidine;2-Chloro-4-trifluoromethylaniline;2-Chloro-4-trifluoromethylphenylamine
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CAS No:
2-Chloro-4-trifluoromethylaniline Basic Attributes
195.57
195.57
4179703
254-674-8
D67KX3WQ3Z
DTXSID30192922
2921420090
Characteristics
26
3.1
clear light yellow to yellow liquid
1.4±0.1 g/cm3
89 °C @ Press: 0.5 Torr
218 °F
1.500
Store in a cool, dry place. Store in a tightly closed container.
Safety Information
III
6.1
UN2810
3
36/37/38-20/21/22-50-24-20/22
26-36-36/37/39-23-61-45
Xi,Xn,N,T
Irritant
P261-P273-P280-P301 + P310-P305 + P351 + P338-P312
H301-H311-H315-H319-H332-H335-H400
|Danger|H301 (84.78%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-4-trifluoromethylaniline Use and Manufacturing
N-methylpyrrolidone (1050 ml) was charged in an autoclave along with 102 g anhydrous activated potassium fluoride, 377 g 3, 4- dichlorobenzotrifluoride was added. Ammonia (158 g) gas was passed in the reactor from the pressure pot at ambient temperature. The content of the reactor was heated to 245-250°C over a period of 2 hours to get reactor pressure of 30-32 kg/cmExample-1 12 140 kg of pure monochlorobenzene are charged to a 20 m3 jacketed reactor rendered inert with nitrogen. The solvent heel is subsequently brought to 110C by heating the jacket. The reactor is subsequently fed with a 70percent solution of para-trifluoromethylaniline in monochlorobenzene at a flow rate of 792 kg/h for 6 h 30 and with Cl at a flow rate of 488 kg/h. The temperature is maintained at 110C by cooling the jacket. Once feeding is complete, the residual content of para-trifluoromethylaniline or of monochloro derivative is monitored. If one of these compounds remains, it is then advisable to adjust the amount of chlorine in order to consume the residual product. At the end of the reaction, the monochlorobenzene is distilled off by placing the reactor under gradually increasing vacuum through a distillation column. After removal of the solvent, the 2, 6-dichloro-para-trifluoromethylaniline is cooled to 60C before emptying the reactor to the storage tank.Example -43, 4-Dichlorobenzotrifluoride (75.4 g) was added to 210 g of dimethylsulfone 30.45 g of calcined potassium fluoride in an autoclave. The ammonia gas (1 to 1.2 m/m) was passed at 30°C. The reaction mixture was maintained at 235°C and 25-26 kg/cm2 for 6 hrs. After work up and fractionation the yield of 2-chloiO-4-trifluoromethylaniline was 84percent based on 3, 4- dichlorobenzotrifluoride consumedExample -4; 3, 4-Dichlorobenzotrifluoride (75.4 g) was added to 210 g of dimethylsulfone 30.45 g of calcined potassium fluoride in an autoclave. The ammonia gas (1 to 1.2 m/m) was passed at 30°C. The reaction mixture was maintained at 235°C and pressure of 25-26 kg/cm for 6 hrs. After work up and fractionation the yield of 2-chloro-4-trifluoromethylaniline was 84percent based on 3, 4-dichlorobenzotrifluoride consumed.
Haloaniline is a known environmental transformation product of tau-fluvalinate.
Computed Properties
Molecular Weight:195.57
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:195.0062613
Monoisotopic Mass:195.0062613
Topological Polar Surface Area:26
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloro-4-trifluoromethylaniline
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