2,6-Difluorobenzotrifluoride

CAS: 64248-60-8

Ref. 3D-FD09814

Product Information

• Name: 2,6-Difluorobenzotrifluoride
• Synonyms: 1,3-Difluoro-2-(trifluoromethyl)benzene, 1,3-Difluor-2-(trifluormethyl)benzol, 1,3-Difluoro-2-(Trifluoromethyl)Benzene, 2,6-Difluorobenzotrifluoroide, Benzene, 1,3-difluoro-2-(trifluoromethyl)-

Description

2,6-Difluorobenzotrifluoride is a synthetic postulated molecule that has been optimized to highlight the methodologies used in molecular modelling. The proposed structure of 2,6-Difluorobenzotrifluoride is a combination of two molecules: ethylene and propylene carbonate. The ethylene bond is maximized to increase the nucleophilic character of the molecule and the propylene carbonate bonds are minimized to avoid their inductive effect. For this synthesis 2,6-Difluorobenzotrifluoride was synthesized by reacting ethylmagnesium bromide with 2,6-difluoroiodobenzene in a 1:1 molar ratio in anhydrous diethyl ether at 0 °C for 18 hours. This reaction was followed by purification with column chromatography on silica gel and crystallization from acetone/hexane (1:2

• Brand: Biosynth

Chemical properties

• Molecular weight: 182.09 g/mol
• Formula: C₇H₃F₅
• Purity: Min. 95%
• Color/Form: Colourless liquid.
• InChI: InChI=1S/C7H3F5/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
• InChI key: InChIKey=NKKFHDNJRMWBFS-UHFFFAOYSA-N
• SMILES: Fc1cccc(F)c1C(F)(F)F