98-07-7

Usage

Uses

Used in Pesticide Production:
alpha,alpha,alpha-Trichlorotoluene is used as an intermediate in the production of various pesticides. It plays a crucial role in the synthesis of active ingredients that help control, repel, or kill pests, thereby protecting crops and ensuring food security.
Used in Pharmaceutical Manufacturing:
In the pharmaceutical industry, alpha,alpha,alpha-Trichlorotoluene serves as an intermediate in the synthesis of certain drugs. Its chemical properties make it a valuable component in the development of medications for various therapeutic applications.
Used in Plastics Industry:
alpha,alpha,alpha-Trichlorotoluene is also utilized as an intermediate in the production of plastics. It contributes to the manufacturing process of various types of plastics used in a wide range of consumer and industrial products, from packaging materials to automotive components.

InChI:InChI=1/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

Upstream product

• 98-87-3 benzylidene dichloride 
• 100-44-7 benzyl chloride 
• 98-88-4 benzoyl chloride 
• 98-08-8 α,α,α-trifluorotoluene 
• 75-36-5 acetyl chloride 
• 56-23-5 tetrachloromethane 
• 108-88-3 toluene 
• 587-85-9 diphenylmercury(II) 
• 71-43-2 benzene 
• 103-79-7 1-phenyl-acetone 
• 100-39-0 benzyl bromide 
• 10026-13-8 phosphorus pentachloride 
• 7782-50-5 chlorine 
• 7719-09-7 thionyl chloride 

Downstream Products

• 110536-91-9 2,2'-(phenylmethylene)dithiophene 
• 4635-59-0 4-Chlorobutanoyl chloride 
• 6359-40-6 8-phenyl-8H-isoquino[2',1':3,4]pyrimido[1,6-a]quinolinylium; chloride 
• 88-95-9 Phthaloyl dichloride 
• 75-36-5 acetyl chloride 
• 614-28-8 N-benzoylbenzamide 
• 98-88-4 benzoyl chloride 
• 100-47-0 benzonitrile 
• 65-85-0 benzoic acid 
• 56722-36-2 N-(4-chloro-phenyl)-N'-phenyl-benzamidine 
• 71709-30-3 N,N'-di-p-chlorophenylbenzamidine 
• 2720-93-6 6-phenylphenanthridine 
• 33345-17-4 N,N-diphenylbenzamidine 
• 38564-68-0 α,α-bisphenylsulphonyltoluene 

Relevant academic research and scientific papers

Method for continuously dropwise adding benzenyl trichloride to synthesize benzoyl chloride

The invention provides a method for continuously dropwise adding benzenyl trichloride to synthesize benzoyl chloride, and relates to the technical field of fine chemical synthesis, the method comprises the following steps: (1) carrying out a chlorination reaction on toluene and chlorine to prepare a benzenyl trichloride crude product; (2) continuously dropwise adding the benzenyl trichloride crudeproduct obtained in the step (1) into benzoic acid for synthesis reaction to prepare a benzoyl chloride crude product; (3) carrying out reduced pressure rectification on the benzoyl chloride crude product prepared in the step (2), and collecting the fraction to obtain a benzoyl chloride fine product; raw materials are easy to obtain and low in price, operation is simple, energy consumption is low, content is high, quality is stable, production cost is low, three wastes are less, the total yield of the product is 94-96%, the purity is more than 99%, and the method is suitable for industrial production and has a good application prospect.

Synthetic process for benzoyl chloride

The invention relates to a synthetic process for benzoyl chloride, and belongs to the technical field of preparation of the benzoyl chloride. The synthetic process comprises the following steps: (1) adding a side reaction inhibitor under irradiation of an LED light source, introducing chlorine gas into toluene, and performing a reaction to obtain crude benzotrichloride, wherein the wavelength of the LED light source is 520-650 nm, and the side reaction inhibitor is a mixture of 4,6-dinitro-2-sec-butylphenol and aniline; (2) adding benzoic acid, adding the crude benzotrichloride obtained in thestep (1) dropwise under the action of a catalyst, and performing a reaction at 110-120 DEG C to obtain crude benzoyl chloride; and (3) performing reduced-pressure distillation purification on the crude benzoyl chloride obtained in the step (2) to obtain the refined benzoyl chloride. The synthetic process provided by the invention has the advantages of simple operation, a short reaction period, alow reaction temperature, low energy consumption, a high product yield, high product purity and low production costs, and is suitable for industrialized production.

CLEAN PROCESS FOR PREPARING CHLOROFORMYL-SUBSTITUTED BENZENE

Clean process for preparing a chloroformyl-substituted benzene by oxidation of a tail gas hydrogen chloride from a chlorination reaction and a chloroacylation reaction and recycling of the resulting oxidation product chlorine gas into the chlorination reaction. The present invention provides a clean process for preparing a polymer-grade chloroformyl-substituted benzene.

METHOD FOR THE PREPARATION OF TRICHLOROMETHYL-GROUP-SUBSTITUTED BENZENE

The present application relates to a method for photochlorination, and specifically to photochlorination by a photochemical reaction of an aromatic compound with gaseous chlorine so as to prepare a trichloromethyl-substituted benzene, and to a method using bis-(trichloromethyl)-benzene as the trichloromethyl-substituted benzene to prepare by further reaction bis-(chloroformyl)-benzene. Through the control of temperature, illuminance and consumption of gaseous chlorine, the method of this application can greatly improve the purity of trichloromethyl-substituted benzene and further prepare polymer-grade bis-(chloroformyl)-benzene with low cost. The present application also relates to a method for purifying trichloromethyl-substituted benzene, and specifically to a method for purifying trichloromethyl-substituted benzene via molecular distillation. The present application further relates to a photochlorination reactor for use in photochlorination reactions (such as those of the present application).

Process for the preparation of benzoyl chloride

The invention relates to a preparation method of benzoyl chloride and belongs to the technical field of the preparation of the benzoyl chloride. The preparation method of the benzoyl chloride comprises the following steps: (1) under the irradiation of an LED light source, firstly, adding a side reaction inhibitor, and then introducing chlorine into methylbenzene, and performing a heating and stirring reaction to obtain the crude product of benzyl trichloride; (2) heating benzoic acid for melting, and in the presence of a catalyst, adding the crude product of the benzyl trichloride obtained in the step (1) for reacting to obtain the crude product of benzoyl chloride; (3) purifying the obtained crude product of the benzoyl chloride by virtue of reduced pressure distillation, thereby obtaining the refined benzoyl chloride. The preparation method of the benzoyl chloride is simple to operate, short in reaction period, low in energy consumption, high in product purity and yield, low in production cost and suitable for industrial production.

Catalytic halodefluorination of aliphatic carbon-fluorine bonds

A variety of halosilanes, in conjunction with aluminum catalysts, convert fluorocarbons into higher halocarbons. Bromination and iodination of fluorocarbons are more effective than chlorination in terms of yield and activity. The mechanism for the reaction is investigated utilizing experimental and computational evidence and preliminary results suggest an alternate mechanism to that reported for the related hydrodefluorination reaction.

Method of manufacturing hydroxybenzenesulfonic deriv. Halomethylation

PROBLEM TO BE SOLVED: To provide a method for producing a halomethylbenzene derivative by halogenating a methylbenzene derivative at the benzyl position, which is industrially achievable. SOLUTION: In the method for producing a halomethylbenzene derivative represented by formula (2) (wherein R1-R5are each independently a hydrogen atom, tert-butyl, phenyl or the like; X, Y and Z are each independently a halogen atom; p and q are each independently 0, 1 or 2; z is 1, 2 or 3 and p+q+z is 1, 2 or 3) by halogenating a methylbenzene derivative by light or heat, halogenation is carried out in a chain fluorine-containing hydrocarbon or cyclic fluorine-containing hydrocarbon. COPYRIGHT: (C)2011,JPOandINPIT

Non-catalytic conversion of C-F bonds of benzotrifluorides to C-C bonds using organoaluminium reagents

A facile method for the conversion of C-F bonds of benzotrifluorides to C-C bonds has been developed using aluminium reagents in the absence of catalysts.

Inter- and innermolecular reactions of chloro(phenyl)carbene

Supramolecular photolyses of 3-chloro-3-phenyl-3H-diazirine (8) were performed within cyclodextrin (CyD) hosts to determine whether these toroidal inclusion compounds could alter the reactivity of the ensuing carbene reaction intermediate, chloro(phenyl)carbene (9). Remarkably, no intramolecular products stemming from carbene 9 could be detected. Instead, modified CyDs were formed via so-called innermolecular reactions. Hence, diazirine 8 was photolyzed in various conventional solvents to gauge the intermolecular reactivity of carbene 9. Relevant results were used to rationalize the CyD innermolecular reaction products.

Stabilities of complexes of Br- with substituted benzenes (SB) based on determinations of the gas-phase equilibria Br- + SB = (BrSB)-

Equilibria involving some forty substituted benzenes (SB) and the bromide ion (SB + Br- = SBBr-) in the gas phase were determined with a pulsed electron, high-pressure mass spectrometer (PHPMS). The resulting -ΔG°1 provide information on the stabilities of the SBBr- complexes. Previous work, involving gas-phase thermochemical data for. X- (CH3O-, F-, C1-, Br-, I-) and quantum chemical calculations, indicate that the most stable SB·X- complexes might have a variety of structures, depending on X- and the nature of the substituents. Thus X- may engage in hydrogen bonding to an aromatic hydrogen atom, or lead to a σ-bonded (Meisenheimer) complex, or form a complex where X- is on an axis perpendicular to the benzene plane. A Taft substituent analysis of the δΔG°1 indicates that Br- and Cl- form aromatic C-H hydrogen-bonded complexes with all singly substituted benzenes. The field effects of the substituents provide the dominant contribution to the bonding in these complexes. Similar conclusions are reached also for the singly substituted nitrobenzenes and Br-. A clearcut analysis of the bonding to Br- when triply substituted benzenes with strongly electron withdrawing substituents like CF3, CN, and NO2 are present could not be obtained. In these cases all three bonding structures mentioned above may have similar stabilities.