328-84-7

Basic information

• Product Name: 3,4-Dichlorobenzotrifluoride
• Synonyms: 1,2-DICHLORO-4-(TRIFLUOROMETHYL)BENZENE;3,4-DICHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE;3,4-DICHLOROBENZOTRIFLUORIDE;3,4-DICHLORO TRIFLUORO METHYL BENZENE;3,4-DICHLORO-1-(TRIFLUOROMETHYL)BENZENE;3,4-DCBTE;1,2-dichloro-4-(trifluoromethyl)-benzen;3,4-dichloro-alpha,alpha,alpha-trifluoro-toluen
• CAS NO: 328-84-7
• Molecular Formula: C₇H₃Cl₂F₃
• Molecular Weight: 215
• EINECS: 206-337-1
• Product Categories: Chlorine Compounds;Fluorine Compounds;Aryl;Building Blocks;C7;Chemical Synthesis;Halogenated Hydrocarbons;Organic Building Blocks;alkyl chloride
• Mol File: 328-84-7.mol
• Article Data: 18

Chemical Properties

• Melting Point: −13-−12 °C(lit.)
• Boiling Point: 173-174 °C(lit.)
• Flash Point: 150 °F
• Appearance: clear colourless to slightly yellow liquid
• Density: 1.478 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.6 mm Hg ( 20 °C)
• Refractive Index: n20/D 1.475(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• BRN: 1950151
• CAS DataBase Reference: 3,4-Dichlorobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Dichlorobenzotrifluoride(328-84-7)
• EPA Substance Registry System: 3,4-Dichlorobenzotrifluoride(328-84-7)

Safety Data

• Hazard Codes: Xi,C
• Statements: 36/37/38-34-22
• Safety Statements: 26-36/37/39-45-60-20
• RIDADR: 1760
• WGK Germany: 2
• RTECS: CZ5527510
• TSCA: Yes
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 328-84-7(Hazardous Substances Data)

Usage

Chemical Properties

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

Uses

3,4-Dichlorobenzotrifluoride has been used in the preparation of:3,4-difluorobenzotrifluoride by a KF exchange reaction2-chloro-4-trifluoromethylphenyl 4-nitrophenylether (RH-2512), potential diphenyl ether herbicide

General Description

A colorless liquid. Flash point below 141°F. Irritating and narcotic in high concentrations. Used as a solvent and for making other chemicals and dyes. Density about 8.9 lb / gal.

Air & Water Reactions

Flammable. Slightly soluble in water.

Reactivity Profile

Simple aromatic halogenated organic compounds are very unreactive; halogenated aliphatic compounds are moderately or very reactive. For both subgroups, reactivity generally decreases with increased degree of substitution of halogen for hydrogen atoms. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

Health Hazard

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Flammability and Explosibility

Nonflammable

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

Upstream product

• 13014-24-9 3,4-dichloro-1-trichloromethylbenzene 
• 50594-82-6 1-trifluoromethyl-3,4,5-trichlorobenzene 
• 106-46-7 para-dichlorobenzene 
• 2926-29-6 Langlois reagent 
• 95-50-1 1,2-dichloro-benzene 
• 95-75-0 3,4-Dichlorotoluene 
• 3376-24-7 N-tert-butyl-α-phenylnitrone 
• 20555-91-3 3,4-dichloroiodobenzene 
• 289706-46-3 4-[2,2,2-trifluoro-1-(trimethylsilyloxy)ethyl]morpholine 
• 98-56-6 4-chlorobenzotrifluoride 
• 32137-19-2 1,2-difluoro-4-(trifluoromethyl)benzene 
• 584-08-7 potassium carbonate 
• 66682-07-3 3,4,5-trichlorotrichlorotoluene 
• 2136-87-0 2,3,4,5-tetrachloro-1-(trichloromethyl)benzene 

Downstream Products

• 657-02-3 3,4-dichloro-α,α,α-trifluoro-5-nitro toluene 
• 401-91-2 1-bromo-2,3-dichloro-5-trifluoromethyl-benzene 
• 50594-76-8 3-(2'-chloro-4'-trifluoromethyl-phenoxy)-phenol 
• 871254-79-4 [2,3-dichloro-6-(trifluoromethyl)phenyl]trimethylsilane 
• 101463-63-2 4-(2-chloro-4-(trifluoromethyl)-phenoxy)-2-fluoroaniline 
• 42874-96-4 5-[2-chloro-4-(trifluoromethyl)phenoxy]toluene 
• 63734-62-3 3-(2-chloro-4-(trifluoromethyl)phenoxy)benzoic acid 
• 63404-52-4 4-(2-chloro-4-trifluoromethylphenylthio)phenol 
• 58594-97-1 4-(2-chloro-4-trifluoromethylphenoxy)phenol 
• 108-95-2 phenol 
• 57729-79-0 2-chloro-6-nitro-4-(trifluoromethyl)aniline 
• 78068-85-6 3-chloro-4-fluoro benzotrifluoride 
• 32137-20-5 1-chloro-2-fluoro-4-(trifluoromethyl)benzene 
• 32137-19-2 1,2-difluoro-4-(trifluoromethyl)benzene 

Relevant articles and documents

Novel process for synthesizing 3,4-dichlorobenzotrifluoride

The invention discloses a novel process for synthesizing 3,4-dichlorobenzotrifluoride, wherein the target compound is obtained by using 3,4-dichlorotoluene as a raw material and using a mixture of cuprous chloride and copper powder as a catalyst through a two-step reaction of chlorination and fluorination. Compared with the method in the prior art, the method of the invention has the following characteristics that the chlorination side reaction is less, the product purity is high, the 3,4-dichlorobenzotrifluorideis produced by using the byproduct 3,4-dichlorotoluene as the raw material so as to achieve the advantages of wide raw material source, low price, turning of byproduct into treasure and target compound production cost reducing, and the catalyst has characteristics of low price andconvenient recovery so as to reduce the production cost of the target compound, increase the economic benefit and avoid environmental pollution.

Efficient chlorination process of dichlorobenzotrifluoride

The invention discloses an efficient chlorination process of dichlorobenzotrifluoride, and belongs to the field of organic synthesis. According to the method, dichlorotoluene is used as a raw material, a mixture catalyst of cuprous chloride and copper powder is added, a target compound is obtained through two-step reaction of chlorination and fluorination, the raw materials applied in the reactionprocess are convenient to purchase, the production cost is low, after-treatment is simple, reaction conditions are mild, and good economic benefits and social benefits are achieved.

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.