|
|
| | 3-Chloro-2-fluorobenzoic acid Basic information | | Uses |
| | 3-Chloro-2-fluorobenzoic acid Chemical Properties |
| Melting point | 177-180 °C (lit.) | | Boiling point | 278.9±20.0 °C(Predicted) | | density | 1.477±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | powder to crystal | | pka | 2.90±0.10(Predicted) | | color | White to Light yellow to Light red | | BRN | 7127637 | | InChI | InChI=1S/C7H4ClFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) | | InChIKey | FCSSYEWURMTUSM-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=CC(Cl)=C1F | | CAS DataBase Reference | 161957-55-7(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 22-24/25-36-26 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids |
| | 3-Chloro-2-fluorobenzoic acid Usage And Synthesis |
| Uses | 3-Chloro-2-fluorobenzoic acid is an important fine chemical intermediate that can be used in the synthesis of pharmaceutical products, bioengineering, reactive dyes, polyester compounds, and pesticides. | | Chemical Properties | white to light yellow crystal powder | | Synthesis Reference(s) | Tetrahedron Letters, 36, p. 881, 1995 DOI: 10.1016/0040-4039(94)02385-O | | Synthesis | General procedure for the synthesis of 3-chloro-2-fluorobenzoic acid from 3-chloro-2-fluorobenzaldehyde: An acetone (75 mL) solution of 3-chloro-2-fluorobenzaldehyde (3 g, 18.92 mmol) was slowly added to an aqueous (30 mL) solution of sodium chlorite (6.81 g, 75.68 mmol) under cooling conditions in an ice bath. The reaction mixture was stirred at 0°C for 5 minutes. Subsequently, sulfamic acid (5.50 g, 56.76 mmol) was added all at once and stirring was continued for 30 min at the same temperature. The reaction process was monitored by thin layer chromatography (TLC). After completion of the reaction, the mixture was diluted with water (5 mL) and filtered. The filtrate was extracted with ethyl acetate (3 x 50 mL), the organic layers were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 3-chloro-2-fluorobenzoic acid as a white solid (3.2 g, 97% yield).LC-MS analysis: 172.9 (M-H). | | References | [1] Patent: WO2017/72062, 2017, A1. Location in patent: Page/Page column 166
[2] Patent: WO2008/7149, 2008, A2. Location in patent: Page/Page column 28 |
| | 3-Chloro-2-fluorobenzoic acid Preparation Products And Raw materials |
|