2-Bromo-4-fluoroaniline CAS 1003-98-1
Introduction：Basic information about 2-Bromo-4-fluoroaniline CAS 1003-98-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Bromo-4-fluoroaniline Basic information
| Product Name: | 2-Bromo-4-fluoroaniline |
| Synonyms: | 4-FLUORO-2-BROMOANILINE;2-BROMO-4-FLUORO-PHENYLAMINE;2-BROMO-4-FLUOROANILINE 98+%;Bromofluoroaniline1;2-Bromo-4-fluoroaniline 99%;2-Bromo-4-fluoroaniline99%;2-BROMO-4-FLUOROANILINE;2-Bromo-4-fluoroanil |
| CAS: | 1003-98-1 |
| MF: | C6H5BrFN |
| MW: | 190.01 |
| EINECS: | 619-469-3 |
| Product Categories: | amine| alkyl Fluorine| alkyl bromide;Pyridines;Miscellaneous;Anilines, Amides & Amines;Bromine Compounds;Fluorine Compounds;Amines;C2 to C6;Nitrogen Compounds;Anilines, Aromatic Amines and Nitro Compounds;Fluorobenzene;1003-98-1 |
| Mol File: | 1003-98-1.mol |
2-Bromo-4-fluoroaniline Chemical Properties
| Melting point | 41 |
| Boiling point | 221 °C (lit.) |
| density | 1.67 g/mL at 25 °C (lit.) |
| refractive index | n |
| Fp | 220 °F |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| pka | 2.60±0.10(Predicted) |
| form | Liquid |
| color | Clear yellow-brown |
| Specific Gravity | 1.670 |
| BRN | 2802562 |
| InChI | InChI=1S/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2 |
| InChIKey | YLMFXCIATJJKQL-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(F)C=C1Br |
| CAS DataBase Reference | 1003-98-1(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,T |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| RIDADR | UN2810 |
| WGK Germany | 3 |
| Hazard Note | Toxic |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29214200 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Uses | 2-Bromo-4-fluoroaniline is an organic compound that is an aniline derivative. It is mainly used as an organic synthesis reagent in experimental research. |
| Chemical Properties | Clear yellow-brown liquid |
| General Description | 2-Bromo-4-fluoroaniline is an aryl fluorinated building block. |
| Synthesis | 371-40-4 1003-98-1 The general procedure for the synthesis of 2-bromo-4-fluoroaniline from 4-fluoroaniline was as follows: 200 mL of distilled N,N-dimethylformamide (DMF) and 4-fluoroaniline (8.64 mL, 58.13 mmol) were added to a two-necked flask equipped with a stirring device. N-bromosuccinimide (11.4 g, 63.95 mmol) dissolved in DMF was added slowly and dropwise with stirring. After completion of the reaction, extraction was carried out using dichloromethane (CH2Cl2). The product was purified by column chromatography (eluent ratio of ethyl acetate: n-hexane = 1:4), and the target product 2-bromo-4-fluoroaniline was finally obtained in 95% yield. |
| References | [1] Patent: KR2018/50795, 2018, A. Location in patent: Paragraph 0134; 0135; 0152-0154 [2] Tetrahedron Letters, 2000, vol. 41, # 13, p. 2083 - 2085 [3] Journal of the American Chemical Society, 2011, vol. 133, # 18, p. 6868 - 6870 [4] Chemistry - A European Journal, 2011, vol. 17, # 49, p. 13665 - 13669 [5] Tetrahedron Letters, 2014, vol. 55, # 38, p. 5338 - 5341 |
2-Bromo-4-fluoroaniline Preparation Products And Raw materials
| Raw materials | 4-Fluoroaniline-->N,N-Dimethylformamide-->N-Bromosuccinimide |
| Preparation Products | 5-Fluoro-2-methylindole-->2-AMINO-5-FLUOROPHENYL BORONIC ACID PINACOL ESTER-->(2-Bromo-4-fluorophenyl)(methyl)sulfane-->2-AMINO-5-FLUOROBENZENEBORONIC ACID-->2-Bromo-4-fluoronitrobenzene-->Methyl 8-bromo-6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate-->4-Chloro-6-fluorocinnoline-->4-fluoro-2-(2-phenylethynyl)phenylaMine-->tert-Butyl (2-bromo-4-fluorophenyl)carbamate |
