54773-19-2

Basic information

• Product Name: 2,3-Dichlorobenzotrifluoride
• Synonyms: 2,3-DICHLOROBENZOTRIFLUORIDE;1,2-dichloro-3-(trifluoromethyl)benzene;2,3-Dichlorobenzotrifluoride 98%;2,3-Dichlorobenzotrifluoride98%;1-(Trifluoromethyl)-2,3-dichlorobenzene;2,3-Dichloro-1-(trifluoromethyl)benzene;2,3-Dichloro-α,α,α-trifluorotoluene;1,2-Dichloro-3-(trifluoromethyl)benzene, 2,3-Dichloro-alpha,alpha,alpha-trifluorotoluene
• CAS NO: 54773-19-2
• Molecular Formula: C₇H₃Cl₂F₃
• Molecular Weight: 215
• EINECS: 259-336-3
• Mol File: 54773-19-2.mol
• Article Data: 4

Chemical Properties

• Melting Point: -26 C
• Boiling Point: 177-179 C
• Flash Point: 73.2 °C
• Appearance: /
• Density: 1,483 g/cm3
• Vapor Pressure: 1mmHg at 25°C
• Refractive Index: 1.47
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 2,3-Dichlorobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-Dichlorobenzotrifluoride(54773-19-2)
• EPA Substance Registry System: 2,3-Dichlorobenzotrifluoride(54773-19-2)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 24/25-36-26
• HazardClass: IRRITANT
• Hazardous Substances Data: 54773-19-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H3Cl2F3/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H

Upstream product

• 61841-46-1 2,3,5-trichlorotrifluoromethylbenzene 
• 54773-20-5 1,3-dichloro-5-(trifluoromethyl)benzene 
• 62593-17-3 3,5-dichloro-2-aminotrifluoromethylbenzene 
• 6303-21-5 hypophosphorous acid 
• 3376-24-7 N-tert-butyl-α-phenylnitrone 
• 95-50-1 1,2-dichloro-benzene 
• 2926-29-6 Langlois reagent 
• 98-15-7 3-chlorotrifluoromethylbenzene 
• 98-08-8 α,α,α-trifluorotoluene 

Downstream Products

• 658066-35-4 fluopyram 
• 129604-28-0 2-chloro-6-trifluoromethylbenzonitrile 
• 916420-45-6 2-chloro-6-trifluoromethylbenzamide 
• 360-64-5 2-(trifluoromethyl)benzamide 
• 447-60-9 2-(trifluoromethyl)benzonitrile 
• 98-08-8 α,α,α-trifluorotoluene 
• 64248-59-5 1,2-difluoro-3-(trifluoromethyl)benzene 
• 865352-01-8 2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride 
• 405264-04-2 2-fluoro-6-trifluoromethylbenzene sulfonyl chloride 

Relevant articles and documents

C?H Bond Trifluoromethylation of Arenes Enabled by a Robust, High-Valent Nickel(IV) Complex

The robust, high-valent NiIV complex [(Py)2NiIVF2(CF3)2] (Py=pyridine) was synthesized and fully characterized by NMR spectroscopy, X-ray diffraction, and elemental analysis. It reacts with aromatic compounds at 25 °C to form the corresponding benzotrifluorides in nearly quantitative yield. The monomeric and dimeric NiIIICF3 complexes 2?Py and 2 were identified as key intermediates, and their structures were unambiguously determined by EPR spectroscopy and X-ray diffraction. Preliminary kinetic studies in combination with the isolation of reaction intermediates confirmed that the C?H bond-breaking/C?CF3 bond-forming sequence can occur both at NiIVCF3 and NiIIICF3 centers.

Method for preparing halogenated 2-amino or 2-acetamido trifluoromethylbenzene derivatives

The halogenation of a compound of formula (1) or formula (2′), wherein Q is an NH2group optionally in the form of an addition salt, or an NHCOCH3group, and X is a halogen atom, using a compound of formula X2, in a solvent selected from an anhydrous halogenated hydrocarbon, a mixture of water and a halogenated hydrocarbon and optionally the compound of formula (1) itself, gives a 2-amino or 2-acetamido trifluoromethylbenzene halogenated in the 5 position of the benzene ring.