80172-04-9

Basic information

• Product Name: 3,4,5-TRIFLUOROBENZOTRIFLUORIDE
• Synonyms: 3,4,5-TRIFLUOROBENZOTRIFLUORIDE;3,4,5-TRICHLORO-TRIFLUOROTOLUENE;1,2,3-TRIFLUORO-5-TRIFLUOROMETHYL-BENZENE;ALPHA,ALPHA,ALPHA,3,4,5-HEXAFLUOROTOLUENE;3,4,5-Trifluorobenzotrifluoride, 97+%;2,4,5-Trifluorobenzotrifluorid;1,2,3-Trifluoro-5-(trifluoromethyl)benzene, 2H,6H-Hexafluorotoluene
• CAS NO: 80172-04-9
• Molecular Formula: C₇H₂F₆
• Molecular Weight: 200.08
• Mol File: 80172-04-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 98.1°C at 760 mmHg
• Flash Point: 17.3°C
• Appearance: /
• Density: 1.475g/cm³
• Vapor Pressure: 46.6mmHg at 25°C
• Refractive Index: 1.377
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3,4,5-TRIFLUOROBENZOTRIFLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,5-TRIFLUOROBENZOTRIFLUORIDE(80172-04-9)
• EPA Substance Registry System: 3,4,5-TRIFLUOROBENZOTRIFLUORIDE(80172-04-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 80172-04-9(Hazardous Substances Data)

Usage

General Description

3,4,5-Trifluorobenzotrifluoride is a chemical compound with the molecular formula C7H3F6. It is a colorless liquid that is mainly used in the production of pharmaceuticals, agrochemicals, and electronic materials. This chemical is highly flammable and may be harmful if inhaled, ingested, or absorbed through the skin. It is also a strong irritant to the eyes, skin, and respiratory system. 3,4,5-Trifluorobenzotrifluoride may also be harmful to aquatic life and should be handled and disposed of with caution. It is important to follow proper safety protocols when working with this chemical to minimize the risk of adverse health effects or environmental contamination.

InChI:InChI=1/C7H2F6/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H

Upstream product

• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 143418-49-9 3,4,5-trifluorophenylboronic acid 
• 50594-82-6 1-trifluoromethyl-3,4,5-trichlorobenzene 

Downstream Products

• 1203956-23-3 C₂₀H₁₄ClF₅N₄O 
• 1203938-49-1 3-chloro-4-(5-{1-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-1-methylethyl}-4-methyl-4H-1,2,4-triazol-3-yl}benzamide 
• 856226-47-6 (2,6-Difluoro-4-trifluoromethyl-phenyl)-hydrazine 
• 80172-07-2 3-(2,6-difluoro-4-trifluoromethylphenoxy)benzoic acid 

Relevant articles and documents

Au@ZnO Core-Shell: Scalable Photocatalytic Trifluoromethylation Using CF3CO2Na as an Inexpensive Reagent under Visible Light Irradiation

Trifluoromethylation is of significant importance for the synthesis of many small molecules vital for medicinal and agrochemical research. The importance of the CF3 group as well as the related synthetic challenges is so evident that many reagents have been reported for the synthesis of trifluoromethylated compounds, but these typical reagents are expensive and the methods for preparing them are difficult. Here, we report a new scalable and operationally simple trifluoromethylation reaction using sodium trifluoroacetate as a reagent and Au-modified ZnO as a photocatalyst under visible light irradiation. The reaction proceeds via trifluoromethylation of a broad range of aryl halides, arylboronic acids, and arene and heteroarene substrates. Some pharmaceutical and agrochemical compounds have been trifluoromethylated directly to demonstrate the applicability of the method.