| Identification | More | [Name]
2,3-DIFLUOROBENZOTRIFLUORIDE | [CAS]
64248-59-5 | [Synonyms]
1,2-DIFLUORO-3-TRIFLUOROMETHYL-BENZENE
2,3-DIFLUOROBENZOTRIFLUORIDE
2,3-Difluorobenzotrifluoride, 97+% | [Molecular Formula]
C7H3F5 | [MDL Number]
MFCD01631429 | [Molecular Weight]
182.09 | [MOL File]
64248-59-5.mol |
| Chemical Properties | Back Directory | [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 Data | Back Directory | [Hazard Codes ]
F | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
1993 | [Hazard Note ]
Flammable | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
2903998090 |
| Hazard Information | Back Directory | [Uses]
1,2-Difluoro-3-trifluoromethylbenzene | [Synthesis]
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 |
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