98-56-6 - Names and IdentifiersNamep-ChlorobenzotrifluorideSynonymsPCBTFp-Chlorobenzotrifluorid
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| Nom | p-Chlorobenzotrifluoride |
| Synonymes | PCBTF 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 |
| CAS | 98-56-6 |
| EINECS | 202-681-1 |
| InChI | InChI:1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H |
| Inchikey | QULYNCCPRWKEMF-UHFFFAOYSA-N |
| Formule moléculaire | C7H4ClF3 |
| Masse molaire | 180.55 |
| Densité | 1.353 g/mL at 25 °C (lit.) |
| Point de fusion | -36 °C (lit.) |
| point Boling | 136-138 °C (lit.) |
| Point d'éclair | 117°F |
| Solubilité dans l'eau | 29 ppm (23 ºC) |
| Solubilité | 56mg/l |
| pression vapeur | 10hPa at 25℃ |
| Apparence | Liquide |
| Gravité spécifique | 1.353 |
| Couleur | Clear colorless |
| Limite d'exposition | ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3 |
| Merck | 14,2126 |
| BRN | 510203 |
| Condition de stockage | Flammables area |
| Stabilité | Stable, but heat and light sensitive. Reacts vigorously with oxidizing agents. Flammable. Incompatible with sodium dimethyl sulfonate, strong bases. |
| Indice de réfraction | n20/D 1.446(lit.) |
| Propriétés physiques et chimiques | This 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. |
| Utilisation | For pesticides, pharmaceuticals, dyes and other intermediates |
| Codes de risque | R10 - inflammable R36/37/38 - Irritant pour les yeux, le système respiratoire et la peau. |
| Description de la sécurité | S26 - En cas de contact avec les yeux, rincer immédiatement avec beaucoup d'eau et consulter un médecin. S36 - porter des vêtements de protection appropriés. S24 / 25 - Eviter le contact avec la peau et les yeux. S16 - Éloigner les sources d'allumage. S36 / 37 / 39 - porter des vêtements de protection appropriés, des gants et une protection oculaire / faciale. |
| Un id | UN 2234 3/PG 3 |
| Wgk Allemagne | 2 |
| Base de données sur la toxicité des substances chimiques | XS9145000 |
| TSCA | Oui |
| Code SH | 29036990 |
| Note de danger | Flammable/Irritant |
| Classe de danger | 3 |
| Catégorie d'emballage | III |
| LogP | 3.7 at 25℃ |
| (IARC) carcinogen classification | 2B (Vol. 125) |
| Présentation | 4-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. |
| Application | p-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. |
| Utilisation | p-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 |
| Méthode de production | p-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. |
| Catégorie | flammable liquid |
| Classe de toxicité | low toxicity |
| Toxicité aiguë | oral-rat LD50: 13000 mg/kg; Oral-mouse LD50: 11500 mg/kg |
| explosive hazard characteristics | reacts with sodium dimethyl sulfinate to release a large amount of heat, explosive |
| caractéristiques de danger d'inflammabilité | open flame flammable; Thermal decomposition of toxic halide gases |
| Caractéristiques de stockage et de transport | The warehouse is ventilated and dried at low temperature; Storage and transportation are separated from oxidant and food raw materials |
| fire extinguishing agent | carbon dioxide, sand, foam |
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