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| | 2-Amino-5-chlorobenzotrifluoride Basic information |
| | 2-Amino-5-chlorobenzotrifluoride Chemical Properties |
| Melting point | 8.8 °C | | Boiling point | 66-67 °C3 mm Hg(lit.) | | density | 1.386 g/mL at 25 °C(lit.) | | vapor pressure | 48.5-1013hPa at 110.5-208.2℃ | | refractive index | n20/D 1.507(lit.) | | Fp | 203 °F | | storage temp. | 2-8°C | | pka | 0.83±0.10(Predicted) | | form | clear liquid | | color | Colorless to Orange to Green | | Specific Gravity | 1.386 | | PH | 7.4 at 20℃ and 995mg/L | | BRN | 2366801 | | InChI | 1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2 | | InChIKey | CVINWVPRKDIGLL-UHFFFAOYSA-N | | SMILES | Nc1ccc(Cl)cc1C(F)(F)F | | LogP | 2.68 | | CAS DataBase Reference | 445-03-4(CAS DataBase Reference) | | NIST Chemistry Reference | Benzenamine, 4-chloro-2-(trifluoromethyl)-(445-03-4) | | EPA Substance Registry System | 4-Chloro-2-(trifluoromethyl)aniline (445-03-4) |
| Hazard Codes | Xn,Xi | | Risk Statements | 20/21/22-33-36/37/38-41-22 | | Safety Statements | 26-36-37/39 | | RIDADR | UN 2810 | | WGK Germany | 2 | | Hazard Note | Irritant | | TSCA | TSCA listed | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29214300 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT RE 2
STOT SE 3 |
| | 2-Amino-5-chlorobenzotrifluoride Usage And Synthesis |
| Chemical Properties | Clear yellow liquid | | Uses | 2-Amino-5-chlorobenzotrifluoride is a biologically active compound and useful building block. It can be transformed into a variety of valuable fluorine-containing molecules and heterocyclic compounds. | | Uses | 4-Chloro-2-(trifluoromethyl)aniline was used in the synthesis of 2-amino-5-chloro 3-(trifluoromethyl)benzenethiol. | | Preparation | Preparationofthechromophore : 4-Chloro-2-(trifluoromethyl)benzenammeand 4-Chloro-1-nitro-2-(trifluoromethyl)benzene reduction. | | General Description | Fourier-transform (FT) infrared and FT-Raman spectra of 4-chloro-2-(trifluoromethyl) aniline has been studied. | | Synthesis | The general procedure for synthesizing 2-amino-5-chlorobenzotrifluoride from 1-(trifluoromethyl)-1,2-phenyliodonyl-3(1H)-one and 4-chloroaniline is as follows: in this embodiment, p-chloroaniline was used as the aromatic amine, and the rest of the reaction and post-processing steps were the same as in Example 28. The specific reaction conditions were as follows: 1-(trifluoromethyl)-1,2-phenyliodono-3(1H)-one (0.5 mmol, 1.0 eq.), 4-chloroaniline (1.5 mmol, 3.0 eq.), nickel hydroxide (10 μmol), and potassium carbonate (1.5 mmol, 3.0 eq.) were dissolved in DMSO (2 mL), and the reaction was carried out for 2 hr. at 35 °C. After the reaction was completed, the product was isolated and purified according to the post-processing procedure in Example 1. | | References | [1] Organic Letters, 2018, vol. 20, # 13, p. 3732 - 3735
[2] Patent: CN108503552, 2018, A. Location in patent: Paragraph 0190-0194
[3] Organic Letters, 2014, vol. 16, # 6, p. 1768 - 1771 |
| | 2-Amino-5-chlorobenzotrifluoride Preparation Products And Raw materials |
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