129604-24-6

Basic information

• Product Name: Benzonitrile, 3,4-bis(trifluoromethyl)-
• CAS NO: 129604-24-6
• Molecular Formula: C9H3F6N
• Molecular Weight: 239.12
• Mol File: 129604-24-6.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Benzonitrile, 3,4-bis(trifluoromethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 3,4-bis(trifluoromethyl)-(129604-24-6)
• EPA Substance Registry System: Benzonitrile, 3,4-bis(trifluoromethyl)-(129604-24-6)

Safety Data

• Hazardous Substances Data: 129604-24-6(Hazardous Substances Data)

Upstream product

• 7664-93-9 sulfuric acid 
• 2965-07-3 3,4-Bis(trifluoromethyl)aniline 
• 455-18-5 4-CF₃C₆H₄CN 
• 76-05-1 trifluoroacetic acid 
• 100-47-0 benzonitrile 

Downstream Products

• 129604-25-7 3,4-bistrifluoromethyl-acetophenone 

Relevant articles and documents

Silver-Catalyzed C-H Trifluoromethylation of Arenes Using Trifluoroacetic Acid as the Trifluoromethylating Reagent

Direct trifluoromethylation of arenes using TFA as the trifluoromethylating reagent was achieved with Ag as the catalyst. This reaction not only provides a new protocol for aryl C-H trifluoromethylation, but the generation of CF3· from TFA may prove useful in other contexts and could potentially be extended to other trifluoromethylation reactions. (Chemical Equation Presented).

Process for producing trifluoromethylbenzylamines

The invention relates to a process for producing a trifluoromethylbenzylamine represented by the following general formula (1). This process includes hydrogenating a trifliuoromethylbenzonitrile represented by the following general formula (2) by hydrogen in an organic solvent in the presence of ammonia, using a Raney catalyst, where each R independently represents a halogen selected from the group consisting of fluorine, chlorine, bromine and iodine, an alkyl group having a carbon atom number of 1-4, an alkoxy group having a carbon atom number of 1-4, an amino group, a hydroxyl group or a trifluoromethyl group, and n represents an integer from 0 to 4, where R and n are defined as above. With this process, it is possible to obtain the trifluoromethylbenzylamine easily and inexpensively at an extremely high yield.

Fluorine-containing acetophenones optionally halogenated on the CH3 -group and their precurser fluorine-containing benzonitriles

Fluorine-containing acetophenones, optionally halogenated on the CH3 group, of the formula STR1 in which X represents hydrogen, chlorine or bromine and the radicals R1 to R5 have the following meaning, a) R1 and R4 denote fluorine, R2 and R5 denote chlorine and R3 denotes CF3, or b) R1, R3 and R4 denote fluorine and R2 and R5 denote hydrogen, or c) R1, R4 and R5 denote hydrogen, R2 denotes chlorine and R3 denotes CF3, or d) R1, R4 and R5 denote hydrogen, R2 denotes chlorine and R3 denotes OCF3, or e) R1, R4 and R5 denote hydrogen and R2 and R3 denote CF3, or f) R1 denotes chlorine, R2 denotes CF3 and R3, R4 and R5 denote hydrogen, or g) R1 denotes chlorine, R2, R3 and R4 denote hydrogen and R5 denotes CF3, or h) R1 denotes chlorine, R2, R4 and R5 denote hydrogen and R3 denotes CF3 and a process for their preparation from the corresponding fluorinated benzonitriles or benzyl halides by reaction with an organomagnesium compound capable of introducing methyl groups and subsequent hydrolysis, if appropriate followed by a chlorination or bromination.