80245-28-9

Basic information

• Product Name: 2,3-Dimethylbenzotrifluoride
• Synonyms: 2,3-Dimethylbenzotrifluoride;1,2-dimethyl-3-(trifluoromethyl)benzene
• CAS NO: 80245-28-9
• Molecular Formula: C₉H₉F₃
• Molecular Weight: 174.1629696
• Mol File: 80245-28-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 157.6±35.0 °C(Predicted)
• Appearance: /
• Density: 1.120±0.06 g/cm3(Predicted)
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 2,3-Dimethylbenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-Dimethylbenzotrifluoride(80245-28-9)
• EPA Substance Registry System: 2,3-Dimethylbenzotrifluoride(80245-28-9)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 80245-28-9(Hazardous Substances Data)

Usage

Physical state

Colorless liquid.

Odor

Strong, sweet.

Water solubility

Insoluble in water.

Solubility in organic solvents

Soluble in organic solvents.

Industrial use

Solvent for various industrial processes, such as production of polymers, resins, and coatings.

Application in adhesives and sealants

Used as an additive in manufacturing.

Electronics industry use

Solvent for cleaning and degreasing electronic components.

Versatility

Due to its solvent properties, 2,3-Dimethylbenzotrifluoride has a range of industrial uses.

Upstream product

• 421-83-0 trifluoromethane sulfonyl chloride 
• 95-47-6 o-xylene 
• 93683-27-3 perfluoro-2,4-dimethyl-3-ethylpent-3-yl radical 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 576-23-8 2,3-dimethylbromobenzene 
• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 93841-19-1 2,4-dimethyl-1-(trifluoromethyl)benzene 
• 78164-31-5 1,2-dimethyl-4-(trifluoromethyl)benzene 
• 41818-96-6 1,3-dimethyl-2-(trifluoromethyl)benzene 
• 56-23-5 tetrachloromethane 
• 887144-97-0 Togni's reagent 
• 1412414-17-5 potassium (2,3-dimethylphenyl)trifluoroborate 

Downstream Products

• 41818-96-6 1,3-dimethyl-2-(trifluoromethyl)benzene 

Relevant articles and documents

Cathodic C-H Trifluoromethylation of Arenes and Heteroarenes Enabled by an in Situ-Generated Triflyltriethylammonium Complex

While several trifluoromethylation reactions involving the electrochemical generation of CF3 radicals via anodic oxidation have been reported, the alternative cathodic, reductive radical generation has remained elusive. Herein, the first cathodic trifluoromethylation of arenes and heteroarenes is reported. The method is based on the electrochemical reduction of an unstable triflyltriethylammonium complex generated in situ from inexpensive triflyl chloride and triethylamine, which produces CF3 radicals that are trapped by the arenes on the cathode surface.

Room-temperature base-free copper-catalyzed trifluoromethylation of organotrifluoroborates to trifluoromethylarenes

An efficient room temperature copper-catalyzed trifluoromethylation of organotrifluoroborates under the base free condition using an electrophilic trifluoromethylating reagent is demonstrated. The corresponding trifluoromethylarenes were obtained in good to excellent yields and the reaction tolerates a wide range of functional groups.

Phototransposition reactions of methyl-substituted benzotrifluorides: Proof of the role of trifluoromethyl-substituted carbon

Irradiation in acetonitrile of any one of the six isomers of dimethylbenzotrifluoride 8 resulted in efficient photoisomerization to the others. The dominant processes in these phototransposition reactions divides the isomers into two triads. The first consists of 8-2,6 (2,6-dimethylbenzotrifluoride), 8-2,3, and 8-3,4; the second consists of 8-3,5, 8-2,4, and 8-2,5. Moreover, irradiation of 2,6-dideuterio-4-methylbenzotrifluoride 5-d2 resulted in formation of 5,6-dideuterio-3-methylbenzotrifluoride 6-d2. These observations demonstrate that it is the trifluoromethyl-substituted carbon that is the migratory one in these reactions.