Introduction：Basic information about 2,3-DIFLUOROBENZOTRIFLUORIDE CAS 64248-59-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,3-DIFLUOROBENZOTRIFLUORIDE Basic information
| Product Name: | 2,3-DIFLUOROBENZOTRIFLUORIDE |
| Synonyms: | 2,3-Difluorobenzotrifluoride, 97+%;2,3-DIFLUOROBENZOTRIFLUORIDE;1,2-DIFLUORO-3-TRIFLUOROMETHYL-BENZENE;1,2-Difluoro-3-(trifluoromethyl)benzene, alpha,alpha,alpha,2,3-Pentafluorotoluene;Benzene,1,2-difluoro-3-(trifluoromethyl)-;2,3-Difluorotrifluoromethylbenzene |
| CAS: | 64248-59-5 |
| MF: | C7H3F5 |
| MW: | 182.09 |
| EINECS: | |
| Product Categories: | Trifluoromethylbenzene serise |
| Mol File: | 64248-59-5.mol |
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2,3-DIFLUOROBENZOTRIFLUORIDE Chemical Properties
| Boiling point | 115.9±35.0 °C(Predicted) |
| density | 1.386±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,2-8°C |
| form | liquid |
| color | Clear, almost colourless |
| InChI | InChI=1S/C7H3F5/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H |
| InChIKey | CBOJZWDLNLMBLM-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=CC(C(F)(F)F)=C1F |
| CAS DataBase Reference | 64248-59-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | F |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | 1993 |
| Hazard Note | Flammable |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 2903998090 |
2,3-DIFLUOROBENZOTRIFLUORIDE Usage And Synthesis
| Uses | 1,2-Difluoro-3-trifluoromethylbenzene |
| Synthesis | 1099597-97-3 64248-59-5 General procedure for the synthesis of 2,3-difluorobenzotrifluoride from 2-chloro-3-fluorobenzotrifluoride: First, 11,490 g of DMI (1,3-dimethyl-2-imidazolidinone) was added as a solvent to a reactor, followed by the addition of 20 L of fluoroalkyl compounds, 1,125 g of high-purity water, spray-dried KF (potassium fluoride), 35 g of 18-crown ether-6, and 805 g of toluene. Reduced pressure distillation was carried out to remove toluene and further purified using azeotropy with water. Subsequently, the clear grade fraction was dried with high purity nitrogen. 93.1% pure 3-fluoro-2-chlorobenzotrifluoride (134% dosage with toluene as solvent) was heated to 230°C and the reaction lasted for 8 hours. After completion of the reaction, distillation was carried out under reduced pressure (0.01 to 0.02 MPa) and the fractions from 44 to 46 °C were collected to give 1184.8 g of 2,3-difluorobenzotrifluoride, with a product purity of 98.9% and a yield of 95.9%. |
| References | [1] Patent: CN107488098, 2017, A. Location in patent: Paragraph 0030 |
2,3-DIFLUOROBENZOTRIFLUORIDE Preparation Products And Raw materials
| Raw materials | 2-Chloro-3-fluorobenzotrifluoride-->18-Crown-6-->Toluene-->Water-->Potassium fluoride |
