4-Aminobenzotrifluoride
4-Aminotrifluorotoluene
CAS: 455-14-1
Molecular Formula: C7H6F3N
4-Aminobenzotrifluoride - Names and Identifiers
| Name | 4-Aminotrifluorotoluene |
| Synonyms | TIMTEC-BB SBB003956 4-Aminotrifluorotoluene P-AMINOBENZOTRIFLUORIDE 4-AMINOBENZOTRIFLUORIDE 4-Aminobenzotrifluoride 4-Amino Trifluorotoluene p-Trifluoromethylaniline 4-trifluoromethyl aniline Aminobenzotrifluoride, 4- 4-(trifluoromethyl)aniline 4-(TRIFLUOROMETHYL)ANILINE P-(TRIFLUOROMETHYL)ANILINE 4-(Trifluoromethyl) aniline A,A,A-TRIFLUORO-P-TOLUIDINE trifluoromehylphenylanilide 4-AMINO-A,A,A-TRIFLUOROTOLUENE 1-AMINO-4-(TRIFLUOROMETHYL)BENZENE |
| CAS | 455-14-1 |
| EINECS | 207-236-5 |
| InChI | InChI=1/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 |
| InChIKey | ODGIMMLDVSWADK-UHFFFAOYSA-N |
4-Aminobenzotrifluoride - Physico-chemical Properties
| Molecular Formula | C7H6F3N |
| Molar Mass | 161.12 |
| Density | 1.283g/mLat 25°C(lit.) |
| Melting Point | 3-8°C |
| Boling Point | 83°C12mm Hg(lit.) |
| Flash Point | 188°F |
| Vapor Presure | 0.554mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.283 |
| Color | Clear colorless to yellow |
| BRN | 1564853 |
| pKa | 2.45(at 25℃) |
| Storage Condition | Keep in dark place,Inert atmosphere,2-8°C |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.483(lit.) |
| Physical and Chemical Properties | This product is a colorless liquid, m. P. 38 °c, B. p.117.5 ℃/8 kpa(83 ℃/1.6 kpa),n20D 1.4840, relative density 1.2830, insoluble in water, soluble in organic solvents. |
| Use | Used as pharmaceutical, dye, pesticide intermediates |
4-Aminobenzotrifluoride - Risk and Safety
| Risk Codes | R25 - Toxic if swallowed R36 - Irritating to the eyes R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R36/37/38 - Irritating to eyes, respiratory system and skin. R33 - Danger of cumulative effects R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S36 - Wear suitable protective clothing. |
| UN IDs | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | XU9260000 |
| TSCA | T |
| HS Code | 29214300 |
| Hazard Note | Toxic/Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
4-Aminobenzotrifluoride - Nature
Open Data Verified Data
colorless or light yellow solid, red-brown in light. Melting point 38 °c, boiling point 117.5 °c (8.OkPa). Relative density 1.283, refractive index 1. 4840, flash point 86 ℃, insoluble in water, can be mixed with ethanol, ether.
Last Update：2024-01-02 23:10:35
4-Aminobenzotrifluoride - Preparation Method
Open Data Verified Data
p-chloro-trifluorotoluene was used as raw material and reacted with ammonia gas under high pressure.
Last Update：2022-01-01 10:51:21
4-Aminobenzotrifluoride - Use
Open Data Verified Data
mainly used in the synthesis of pesticides, pharmaceuticals and other fine chemicals.
Last Update：2022-01-01 10:51:21
4-Aminobenzotrifluoride - Safety
Open Data Verified Data
This product is toxic. Liquid, vapor can be absorbed through the skin, the blood or nerve toxicity is very strong, can cause bladder cancer, the highest allowable concentration in the air of the workplace is 19 mg/m3. Packaging using 50kg iron plastic barrel.
Last Update：2022-01-01 10:51:22
4-Aminobenzotrifluoride - Reference Information
| LogP | 1.95 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | p-trifluoromethylaniline (p-trifluromethylaniline, abbreviated as PTFMA,CAS login number 455-14-1) is an important chemical raw material, especially widely used in pesticides and medicines. After chlorination of p-trifluoromethylaniline, 2, 6-dichloro-p-aminotrifluorotoluene can be obtained. It is an important intermediate. It is used in the pesticide industry to synthesize high-efficiency and low-toxicity insecticides fipronil (Rujin), fluromethrin, fluuron, herbicides ebutylflumrin, etc., are used in the pharmaceutical industry to synthesize new immunosuppressant drugs leflunomide, etc. With the deepening of green chemical technology and new drug research, new sources of use have been continuously developed and have become important chemical products with development prospects. |
| application | 2, 6-dichloro-4-trifluoromethylaniline is an important pesticide synthesis intermediate, mainly used to synthesize fluorinated organic pesticides such as fipronil. The method is as follows: 3L reaction kettle is added with 200g p-trifluoromethylaniline and 480g dichloroethane, the temperature is controlled to 10 ℃, 503g sulfonyl chloride and 190g dichloroethane mixed solution are added dropwise under stirring for 3h, the reaction is continued at 50 ℃ for 2h after dropwise addition, the reaction is completed, the temperature is cooled, water is washed, saturated sodium carbonate aqueous solution is washed, inorganic salts are removed, organic phase concentration is removed, solvent is removed, and distillation is carried out, 6-Dichloro-4-trifluoromethylaniline 144g. |
| use | trifluoromethylaniline is an important pharmaceutical and pesticide intermediate, which can prepare pesticides such as flufenothrin, fipronil, fluorourea, etc. Used as an intermediate in medicine, dye and pesticide Used as an intermediate in medicine and pesticide Used as an intermediate in medicine, dye and pesticide. |
| Production method | It is prepared by reacting with ammonia under high pressure using p-chlorotrifluorotoluene as raw material. There are several preparation methods. The p-nitrotoluene as the raw material method uses p-nitrotoluene as the raw material to brominate the reaction with bromine to generate p-dibromomethyl nitrobenzene, and then brominated with sodium hypobromite to generate p-tribromomethyl nitrobenzene, and then fluorinated with antimony trifluoride, and then reduced with tin dichloride to obtain p-trifluoromethylaniline. This method is a classic method, the raw materials used are easy to obtain, but bromination needs more bromine, and only intermediate transition, but also with SbF3 fluorination, SnCl2 reduction, complex process, more three wastes, this industry is difficult. If chlorination can be used instead of bromination, HF is used for fluorination, and conventional reduction methods are used for reduction, it will have certain industrial significance. p-chlorotrifluorotoluene as raw material method p-chlorotrifluorotoluene reacts with ammonia at high pressure and high temperature (150~240 ℃) to generate p-trifluoromethylaniline. Although p-chlorotrifluorotoluene is an industrialized commodity, the conditions for ammonolysis are harsh and industrialization is difficult. The p-trichloromethyl benzene isocyanate is used as a raw material to react p-trichloromethyl benzene isocyanate with hydrogen fluoride to form p-trifluoromethyl aniline hydrofluorate, which is obtained by reacting with alkali. This method is a method developed abroad in recent years, and the trichloromethyl benzene isocyanate can use p-methyl aniline as a raw material, and the light gas can produce a pair of trichloromethyl chloromethyl aniline, and further generate p-trichloromethyl benzene isocyanate. |
Last Update：2024-04-10 22:29:15
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