4-Bromo-2-fluorophenylacetic acid
4-Bromo-2-fluorophenylacetic acid
CAS: 114897-92-6
Molecular Formula: C8H6BrFO2
4-Bromo-2-fluorophenylacetic acid - Names and Identifiers
| Name | 4-Bromo-2-fluorophenylacetic acid |
| Synonyms | 4-Bromo-2-fluorophenylacetic acid (4-Bromo-2-fluorophenyl)acetic acid 2-(4-bromo-2-fluorophenyl)acetic acid Benzeneacetic acid, 4-bromo-2-fluoro- |
| CAS | 114897-92-6 |
| InChI | InChI=1/C8H6BrFO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12) |
4-Bromo-2-fluorophenylacetic acid - Physico-chemical Properties
| Molecular Formula | C8H6BrFO2 |
| Molar Mass | 233.03 |
| Density | 1.697±0.06 g/cm3(Predicted) |
| Boling Point | 320.4±27.0 °C(Predicted) |
| Flash Point | 147.6°C |
| Vapor Presure | 0.000132mmHg at 25°C |
| Appearance | White solid |
| pKa | 3.89±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.57 |
| MDL | MFCD09032952 |
4-Bromo-2-fluorophenylacetic acid - Risk and Safety
| Hazard Symbols | Xi - Irritant |
4-Bromo-2-fluorophenylacetic acid - Reference Information
| Introduction | 4-bromo-2-fluorophenylacetic acid is an organic intermediate that can be substituted with 4-bromo-1-(bromoethyl)-2-fluorobenzene as raw material to obtain 2-(4-bromo-2-fluorophenyl) acetonitrile, then it reacts with sodium hydroxide and is finally acidified. |
| use | 4-bromo-2-fluorophenylacetic acid is a carboxylic acid organic substance and can be used as a pharmaceutical intermediate. |
| preparation | at 20 ℃ under N2, NaOH solution (2.22L,2.5M) was added to the stirred solution of 2-(4-bromo-2-fluorophenyl) acetonitrile (397g,1.82mol) in MeOH(500mL) at one time, 5.56mol). The reaction mixture was stirred at 80°C for 5h. The solution was then concentrated and neutralized with concentrated HCl with stirring to pH = 5. The solution was then extracted with EA(1.5 Lx2). Prepare the other two batches according to the same operation. The three batches are then combined. The combined organic extract was washed with saturated salt water, dried with Na2SO4, filtered and concentrated in vacuum to obtain pure 4-bromo-2-fluorophenylacetic acid (1200g,92%). |
Last Update：2024-04-09 21:01:54
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