2-Amino-5-chlorobenzotrifluoride CAS 445-03-4
Introduction：Basic information about 2-Amino-5-chlorobenzotrifluoride CAS 445-03-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Amino-5-chlorobenzotrifluoride Basic information
| Product Name: | 2-Amino-5-chlorobenzotrifluoride |
| Synonyms: | Aniline,4-chloro-2-trifluoromethyl-;Benzenamine,4-chloro-2-(trifluoromethyl)-;C.I. 37055;C.I. Azoic Diazo Component 17;Diazo Fast Scarlet VD;Fast Scarlet Salt VD;4-chloro-2-(trifluoromethyl)-benzenamin;5-Chloro-2-aminobenzotrifluoride |
| CAS: | 445-03-4 |
| MF: | C7H5ClF3N |
| MW: | 195.57 |
| EINECS: | 207-151-3 |
| Product Categories: | API Intermediate;Aromatic Halides (substituted);445-03-4 |
| Mol File: | 445-03-4.mol |
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 | n |
| 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) |
Safety Information
| 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 |
| Chemical Properties | Clear yellow liquid |
| Uses | 4-Chloro-2-(trifluoromethyl)aniline was used in the synthesis of 2-amino-5-chloro 3-(trifluoromethyl)benzenethiol. |
| 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. |
| Preparation | Preparation?of?the?chromophore : 4-Chloro-2-(trifluoromethyl)benzenamme?and 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 | 887144-94-7 106-47-8 445-03-4 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
| Raw materials | Sodium chloride-->Chlorine-->Benzotrifluoride-->3-Chlorobenzotrifluoride-->1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one-->5-Chloro-2-nitrobenzotrifluoride-->Trifluoromethyl iodide-->4-Chloroaniline-->Potassium carbonate-->NICKEL(II) HYDROXIDE |
| Preparation Products | 2-Amino-5-fluorobenzotrifluoride-->Tracid Red 2bs-->2-Aminobenzotrifluoride |
