98-56-6 - Names and IdentifiersNamep-ChlorobenzotrifluorideSynonymsPCBTFp-Chlorobenzotrifluorid
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| Name | p-Chlorobenzotrifluoride |
| Synonyms | 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 |
| Molecular Formula | C7H4ClF3 |
| Molar Mass | 180.55 |
| Density | 1.353 g/mL at 25 °C (lit.) |
| Melting Point | -36 °C (lit.) |
| Boling Point | 136-138 °C (lit.) |
| Flash Point | 117°F |
| Water Solubility | 29 ppm (23 ºC) |
| Solubility | 56mg/l |
| Vapor Presure | 10hPa at 25℃ |
| Appearance | Liquid |
| Specific Gravity | 1.353 |
| Color | Clear colorless |
| Exposure Limit | ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3 |
| Merck | 14,2126 |
| BRN | 510203 |
| Storage Condition | Flammables area |
| Stability | Stable, but heat and light sensitive. Reacts vigorously with oxidizing agents. Flammable. Incompatible with sodium dimethyl sulfonate, strong bases. |
| Refractive Index | n20/D 1.446(lit.) |
| Physical and Chemical Properties | 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. |
| Use | For pesticides, pharmaceuticals, dyes and other intermediates |
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. S16 - Keep away from sources of ignition. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 2234 3/PG 3 |
| WGK Germany | 2 |
| RTECS | XS9145000 |
| TSCA | Yes |
| HS Code | 29036990 |
| Hazard Note | Flammable/Irritant |
| Hazard Class | 3 |
| Packing Group | III |
| LogP | 3.7 at 25℃ |
| (IARC) carcinogen classification | 2B (Vol. 125) |
| Introduction | 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. |
| uses | 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 |
| production method | 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. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | 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 |
| flammability hazard characteristics | open flame flammable; Thermal decomposition of toxic halide gases |
| storage and transportation characteristics | 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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