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4-Chlorobenzotrifluoride CAS No. 98-56-6

98-56-6 - Names and IdentifiersNamep-ChlorobenzotrifluorideSynonymsPCBTFp-Chlorobenzotrifluorid

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Contenido

98-56-6 - Names and Identifiers

Nombrep-Chlorobenzotrifluoride
SinónimosPCBTF
p-Chlorobenzotrifluoride
4-chlorobenzotrifluoride
P-chloro benzotrifluoride
For chlorobenzotrifluoride
4 chloro benzo trifluoride
para-Chlorobenzotrifluoride
p-chlorotrifluoromethylbenzene
4-chloro-α,α,α-trifluorotoluene
p-(trifluoromethyl)chlorobenzene
(p-chlorophenyl)trifluoromethane
1-chloro-4-(trifluoromethyl)-benzen
The three fluorine chlorine toluene
1-(Trifluoromethyl)-4-chlorobenzene
1-chloro-4-(trifluoromethyl)benzene
Benzene,1-chloro-4-(trifluoromethyl)-
4-Chloro-alpha,alpha,alpha-trifluorotoluene
alpha,alpha,alpha-trifluoro-4-chlorotoluene
para-chloro-alpha,alpha,alpha-trifluorotoluene
4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl prop-2-enoate
CAS98-56-6
EINECS202-681-1
InChIInChI:1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKeyQULYNCCPRWKEMF-UHFFFAOYSA-N

98-56-6 - Physico-chemical Properties

Fórmula MolecularC7H4ClF3
Masa Molar180.55
Densidad1.353 g/mL at 25 °C (lit.)
Punto de fusión-36 °C (lit.)
punto Boling136-138 °C (lit.)
Punto Flash117°F
Disolución del agua29 ppm (23 ºC)
Solubilidad56mg/l
Presión de vapor10hPa at 25℃
AparienciaLiquid
Peso1.353
colorClear colorless
Exposure LimitACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3
Merck14,2126
BRN510203
Condición de almacenamientoÁrea de combustibles
EstabilidadStable, but heat and light sensitive. Reacts vigorously with oxidizing agents. Flammable. Incompatible with sodium dimethyl sulfonate, strong bases.
Índice de refracciónn20/D 1.446(lit.)
Propiedades físicas y químicasThis product is liquid at normal temperature, m.p.-36 ℃, B. p.139.2 ℃,n20D 1.4460, relative density 1.353,f.p.117℉(47 ℃), soluble in benzene, toluene and other organic solvents.
UsoFor pesticides, pharmaceuticals, dyes and other intermediates

98-56-6 - Risk and Safety

Códigos de riesgoR10 - Inflamable
R36 / 37 / 38 - irrita los ojos, el sistema respiratorio y la piel.
Descripción de seguridadS26 En caso de contacto con los ojos, enjuagar inmediatamente con mucha agua y buscar asesoramiento médico.
S36 - Use ropa protectora adecuada.
S24 / 25 - evite el contacto con la piel y los ojos.
S16 Mantener alejado de fuentes de ignición.
S36/37/39 Usar ropa de protección adecuada, guantes y protección ocular/facial.
UN IDsUN 2234 3/PG 3
WGK Alemania2
RTECSXS9145000
TSCAYes
Número de aranceles29036990
Hazard NoteFlammable/Irritant
Clase de peligro3
Packing GroupIII

98-56-6 - Reference Information

LogP3.7 at 25℃
(IARC) carcinogen classification2B (Vol. 125)
Introduction4-chloro trifluorotoluoride (4-chloro benzotrifluoride) is a colorless transparent liquid with a halogenated benzene odor. The compound is insoluble in water and miscible with benzene, toluene, ethanol, diethyl ether, halogenated hydrocarbons, etc.
Aplicaciónp-chlorotrifluorotoluene is an important intermediate in organic synthesis, containing fluorine atoms to give it special activity, in medicine, pesticides, dyes and other fields of fine organic synthesis are widely used. P-chlorotrifluorotoluene is a key intermediate for the synthesis of a variety of fluorine-containing insecticides and herbicides on pesticides. At present, the most used are the synthesis of trifluralin, ethidine trifluoromethyl, fluorine Ester oxime ether, fluorine iodoamine grass ether, as well as the carboxyl fluoride ether herbicide, etc.
usesp-chlorotrifluorotoluene is the herbicide trifluralin, ethoxyfluoroxane, the intermediates of milk fluorine and grass spirit, etc.
This product is used as trifluralin, ethidine trifluralin, fluoroester oxime grass ether, fluoroiodoamine grass ether, and carboxyfluoroether herbicide, etc. It can also be used in synthetic medicine, in addition, it can also be used in the dye industry.
used as pesticide, medicine, dye and other intermediates
production methodp-chlorotoluene is obtained by side chain light chlorination and liquid phase fluorination: chlorination: P-chlorotoluene was put into a photo-chlorination reactor, heated to 120-150 ° C., and subjected to chlorine reaction under the irradiation of a fluorescent lamp. The reaction solution was analyzed by gas chromatography every 10-15min. The reaction was stopped when the p-chlorotoluene content was more than 90%. The product was distilled under reduced pressure to obtain p-chloro-trichlorotoluene. The yield was 90-95%. Fluorination: P-chloro-trichlorotoluene was put into a fluorination reaction kettle, and 4-5 times of anhydrous hydrogen fluoride was added in a molar ratio. After raising the temperature, the reaction was carried out at 1.9-2.4MPa until the reaction pressure did not rise any more. The hydrogen chloride gas released in the reaction process is absorbed by alkali, and the reactant is neutralized and distilled by steam to obtain a crude product. The p-chlorotrifluorotoluene liquid with a boiling range of 138-140 ° C. Is obtained by frequent pressure distillation. The yield was 80-90%.
The preparation method is to add P-chlorotrichlorotoluene to the fluorination reactor, cool the condenser with chilled brine, press the metered liquid hydrogen fluoride from the cylinder with dry air to the fluorination reactor, and then add the catalyst, the control valve is closed, and the reaction is stirred and heated. The hydrogen fluoride produced by the reaction is condensed and refluxed with volatile hydrogen fluoride and organic matter, and the condensed and recovered liquid hydrogen fluoride is stored in the recovery tank. After the reaction is finished, the fluorinated product P-chlorotrifluorotoluene enters the distillation kettle, the product is obtained by heating and distillation under vacuum system.
categoryflammable liquid
toxicity gradelow toxicity
Acute toxicityoral-rat LD50: 13000 mg/kg; Oral-mouse LD50: 11500 mg/kg
explosive hazard characteristicsreacts with sodium dimethyl sulfinate to release a large amount of heat, explosive
flammability hazard characteristicsopen flame flammable; Thermal decomposition of toxic halide gases
storage and transportation characteristicsThe warehouse is ventilated and dried at low temperature; Storage and transportation are separated from oxidant and food raw materials
fire extinguishing agentcarbon dioxide, sand, foam

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