CAS 64248-60-8

1,3-Difluoro-2-(trifluoromethyl)benzene

Description:

1,3-Difluoro-2-(trifluoromethyl)benzene, with the CAS number 64248-60-8, is an aromatic compound characterized by the presence of two fluorine atoms and a trifluoromethyl group attached to a benzene ring. This compound exhibits a molecular structure that contributes to its unique chemical properties, including high stability and reactivity due to the electronegative fluorine atoms. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its behavior in various chemical reactions, making it a valuable intermediate in organic synthesis and materials science. Additionally, 1,3-difluorobenzene derivatives are often studied for their potential applications in pharmaceuticals, agrochemicals, and as solvents. The compound is typically colorless to pale yellow in appearance and may have a distinct odor. Its physical properties, such as boiling and melting points, are influenced by the fluorine substituents, which also affect its solubility in organic solvents. Safety precautions should be taken when handling this substance, as fluorinated compounds can pose health and environmental risks.

Formula: C₇H₃F₅

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: C(F)(F)(F)C1=C(F)C=CC=C1F

Synonyms:

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

2,6-Difluorobenzotrifluoride

CAS: 64248-60-8

Formula: C₇H₃F₅

Purity: 98%

Color and Shape: Liquid

Molecular weight: 182.0907

Ref: IN-DA00ECQ8

2,6-Difluorobenzotrifluoride

CAS: 64248-60-8

2,6-Difluorobenzotrifluoride

Formula: C₇H₃F₅

Purity: ≥95%

Color and Shape: clear. almost colourless liquid

Molecular weight: 182.09g/mol

Ref: 54-PC6200

2,6-Difluorobenzotrifluoride

CAS: 64248-60-8

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

Formula: C₇H₃F₅

Purity: Min. 95%

Color and Shape: Colourless liquid.

Molecular weight: 182.09 g/mol

Ref: 3D-FD09814

1,3-Difluoro-2-trifluoromethyl-benzene

CAS: 64248-60-8

Formula: C₇H₃F₅

Purity: 98%(GC);RG

Color and Shape: Liquid

Molecular weight: 182.093

Ref: 10-F032768