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| | 4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine Basic information |
| | 4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine Chemical Properties |
| Melting point | 35-37 °C(lit.) | | Boiling point | 85 °C (3 mmHg) | | density | 1.4070 (estimate) | | vapor pressure | 13Pa at 25℃ | | Fp | >230 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Crystalline Powder or Low Melting Solid | | pka | 2.74±0.10(Predicted) | | color | White to pinkish or slightly orange | | FreezingPoint | 34.0 to 37.0 ℃ | | BRN | 641588 | | InChI | 1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2 | | InChIKey | ASPDJZINBYYZRU-UHFFFAOYSA-N | | SMILES | Nc1ccc(Cl)c(c1)C(F)(F)F | | LogP | 2.68 at 25℃ | | CAS DataBase Reference | 320-51-4(CAS DataBase Reference) | | NIST Chemistry Reference | Benzenamine, 4-chloro-3-(trifluoromethyl)-(320-51-4) | | EPA Substance Registry System | Benzenamine, 4-chloro-3-(trifluoromethyl)- (320-51-4) |
| | 4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine Usage And Synthesis |
| Chemical Properties | white to pinkish crystalline powder | | Uses | 5-Amino-2-chlorobenzotrifluoride is a compound useful in organic synthesis. It also performs a radioprotective activity against ionizing radiations. | | Definition | ChEBI: A monochlorobenzene that is the 3-trifluoromethyl derivative of 4-chloroaniline. | | Synthesis | General procedure for the synthesis of 2-chloro-5-aminobenzotrifluoride from 2-chloro-5-nitrobenzotrifluoride: In 1.0 mL of 2 wt% TPGS/H2O solution, 1-chloro-4-nitro-2-(trifluoromethyl)benzene (113 mg, 0.50 mmol), Fe nanoparticles (6 mg) and NaBH4 (28.5 mg, 0.75 mmol) were added. The reaction was carried out at room temperature for 2 hours. Upon completion of the reaction, 91.7 mg (94% yield) of 4-chloro-3-(trifluoromethyl)aniline was obtained as a colorless oil (hexane/ethyl acetate = 80/20). The spectral data of the product were in agreement with those reported in the literature.GC-MS analysis showed m/z: 195 [M]+. | | References | [1] Green Chemistry, 2018, vol. 20, # 1, p. 130 - 135
[2] Angewandte Chemie - International Edition, 2016, vol. 55, # 31, p. 8979 - 8983
[3] Angew. Chem., 2016, vol. 128, # 31, p. 9125 - 9129,5
[4] Patent: WO2017/106426, 2017, A1. Location in patent: Paragraph 0084; 0088
[5] Patent: CN108191670, 2018, A. Location in patent: Paragraph 0047; 0050; 0053; 0056; 0057-0059; 0062-0068 |
| | 4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine Preparation Products And Raw materials |
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