2-Amino-5-bromobenzotrifluoride CAS 445-02-3
Introduction：Basic information about 2-Amino-5-bromobenzotrifluoride CAS 445-02-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Amino-5-bromobenzotrifluoride Basic information
| Product Name: | 2-Amino-5-bromobenzotrifluoride |
| Synonyms: | 2-AMINO-5-BROMO(TRIFLUOROMETHYL)BENZENE;2-AMINO-5-BROMOBENZOTRIFLUORIDE;4-BROMO-2-(TRIFLUOROMETHYL)ANILINE;4-Bromo-alpha,alpha,alpha-trifluoro-o-toluidine;4-bromo-2-(trifluoromethyl)-benzenamin;2-Amino-5-bromobenzotrifluoride 98%;2-Amino-5-bromobenzotrifluoride98%;4-bromo-2-(Trilfuoromethyl)aniline |
| CAS: | 445-02-3 |
| MF: | C7H5BrF3N |
| MW: | 240.02 |
| EINECS: | 207-150-8 |
| Product Categories: | Amines;C7;Nitrogen Compounds;Aniline;Benzotrifluoride Series;Aromatic Halides (substituted);Trifluoromethylbenzene serise |
| Mol File: | 445-02-3.mol |
2-Amino-5-bromobenzotrifluoride Chemical Properties
| Melting point | 84～86℃/5mm |
| Boiling point | 84-86 °C5 mm Hg(lit.) |
| density | 1.71 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 225 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| pka | 0.76±0.10(Predicted) |
| form | clear liquid |
| color | Light yellow to Yellow to Orange |
| Specific Gravity | 1.71 |
| BRN | 2211504 |
| InChI | 1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2 |
| InChIKey | PHXGKHTWEOPCEW-UHFFFAOYSA-N |
| SMILES | Nc1ccc(Br)cc1C(F)(F)F |
| CAS DataBase Reference | 445-02-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzenamine, 4-bromo-2-(trifluoromethyl)-(445-02-3) |
| EPA Substance Registry System | 4-Bromo-2-(trifluoromethyl)aniline (445-02-3) |
Safety Information
| Hazard Codes | Xn,Xi,C |
| Risk Statements | 20/21/22-36/37/38-34 |
| Safety Statements | 26-36-36/37/39-45-27 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| HS Code | 29214300 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Chemical Properties | Clear yellow liquid |
| Uses | 4-Bromo-2-(trifluoromethyl)aniline has been used in the preparation of 2,5-dibromo-(trifluoromethyl)benzene and 5-bromo-2-iodo-(trifluoromethyl)benzene. |
| Uses | 2-Amino-5-bromobenzotrifluoride is a reagent used for the synthesis of α-aminophosphonate which exhibits moderate antitumor activity. |
| Synthesis | 887144-94-7 106-40-1 445-02-3 The general procedure for the synthesis of 2-amino-5-bromobenzotrifluoride from 1-(trifluoromethyl)-1,2-phenyliodo-3(1H)-one and 4-bromoaniline is as follows: in this embodiment, the same reaction and post-processing procedure as in Example 28 is used, wherein the aromatic amine is p-bromoaniline. The specific reaction conditions were as follows: 1-(trifluoromethyl)-1,2-phenyl iodo-3(1H)-one (0.5 mmol, 1.0 eq.), aromatic amine (1.5 mmol, 3.0 eq.), nickel hydroxide (10 μmol), and potassium carbonate (1.5 mmol, 3.0 eq.) were used as a base, and the reaction was carried out for 2 hours at 35°C in DMSO (2 mL). After the reaction was completed, post-treatment was performed according to the method of Example 1. |
| References | [1] Organic Letters, 2018, vol. 20, # 13, p. 3732 - 3735 [2] Patent: CN108503552, 2018, A. Location in patent: Paragraph 0232-0236 [3] Organic Letters, 2014, vol. 16, # 6, p. 1768 - 1771 [4] Patent: CN103553857, 2016, B. Location in patent: Paragraph 0019-0020 |
2-Amino-5-bromobenzotrifluoride Preparation Products And Raw materials
| Raw materials | N-(4-bromophenyl)picolinamide-->BROMOTRIFLUOROMETHANE-->5-Bromo-2-nitrobenzotrifluoride-->3-Aminobenzotrifluoride-->4-Bromoaniline-->1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one-->Sodium trifluoromethanesulfinate-->Trifluoromethyl iodide-->Benzotrifluoride-->3-Bromobenzotrifluoride-->2-Aminobenzotrifluoride |
| Preparation Products | 5-BROMO-2-IODOBENZOTRIFLUORIDE |
