|
|
| | 2,3-Difluorobenzoic acid Basic information |
| | 2,3-Difluorobenzoic acid Chemical Properties |
| Melting point | 163-165 °C (lit.) | | Boiling point | 248.1±20.0 °C(Predicted) | | density | 1.3486 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | pka | 2.93±0.10(Predicted) | | form | powder to crystal | | color | White to Almost white | | Water Solubility | slightly soluble | | BRN | 2640781 | | InChI | InChI=1S/C7H4F2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) | | InChIKey | JLZVIWSFUPLSOR-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=CC(F)=C1F | | CAS DataBase Reference | 4519-39-5(CAS DataBase Reference) | | EPA Substance Registry System | Benzoic acid, 2,3-difluoro- (4519-39-5) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38-37/38-36 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2,3-Difluorobenzoic acid Usage And Synthesis |
| Chemical Properties | white to off-white powder | | Uses | 2,3-Difluorobenzoic acid has been used as a tracer for determining the extent of recovery of materials injected into oil wells. | | General Description | 2,3-Difluorobenzoic acid forms dimers that are stabilized by hydrogen bonds. It is used in pharmaceuticals, pesticides, and liquid crystal material intermediates. | | Synthesis | Carbon dioxide gas was passed into a reaction solution containing lithium 2,3-difluorobenzene (CAS:126163-64-2) at a temperature of -65 to -60 °C, ensuring that the molar ratio of carbon dioxide to lithium 2,3-difluorobenzene was 1.5:1. The reaction was maintained at this temperature for 4 hours. Upon completion of the reaction, water was added for hydrolysis at a mass ratio of water to reaction solution of 1.5:1 and the hydrolysis temperature was controlled at 15-20 °C. Subsequently, the organic solvent was removed by heating distillation and the reaction mixture was concentrated. The temperature was adjusted to 20-22 °C and the reaction mixture was acidified with a 10% hydrochloric acid solution with a molar ratio of hydrochloric acid to lithium 2,3-difluorobenzene of 2:1. After acidification, the reaction was kept for 3 hours. The reaction mixture was cooled to 0°C and the crystals formed were collected by diafiltration. The crystals were washed with a buffer solution of pH=2 and subsequently dried to give 2,3-difluorobenzoic acid. The purity of the final product was 99.5% and the yield was 90%. | | References | [1] Patent: CN108658759, 2018, A. Location in patent: Paragraph 0032; 0037 |
| | 2,3-Difluorobenzoic acid Preparation Products And Raw materials |
|