98-34-0

Basic information

• Product Name: 3-CHLORO-4-METHYLBENZENESULFONIC ACID
• Synonyms: 3-CHLORO-4-METHYLBENZENESULFONIC ACID;2-chlorotoluene-4-sulphonic acid
• CAS NO: 98-34-0
• Molecular Formula: C7H7ClO3S
• Molecular Weight: 206.64668
• EINECS: 202-659-1
• Mol File: 98-34-0.mol

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.471g/cm³
• Refractive Index: 1.577
• CAS DataBase Reference: 3-CHLORO-4-METHYLBENZENESULFONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-4-METHYLBENZENESULFONIC ACID(98-34-0)
• EPA Substance Registry System: 3-CHLORO-4-METHYLBENZENESULFONIC ACID(98-34-0)

Safety Data

• Hazardous Substances Data: 98-34-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Chloro-4-methylbenzenesulfonic acid is utilized as a building block for the production of various pharmaceuticals. Its unique chemical structure allows it to be a key component in the synthesis of drugs, contributing to the development of new medications and therapies.
Used in Agrochemical Industry:
In the agrochemical sector, 3-CHLORO-4-METHYLBENZENESULFONIC ACID serves as an essential intermediate in the creation of different agrochemicals. Its role in this industry is vital for the synthesis of products that help improve crop protection and agricultural yields.
Used in Dye and Pigment Synthesis:
3-Chloro-4-methylbenzenesulfonic acid is also employed as an intermediate in the synthesis of dyes and pigments. Its chemical properties make it suitable for the production of a wide range of colorants used in various industries, including textiles, plastics, and printing inks.
Used in Specialty Chemicals Production:
3-CHLORO-4-METHYLBENZENESULFONIC ACID is further used in the synthesis of specialty chemicals, which are tailored for specific applications in industries such as coatings, adhesives, and sealants. Its versatility and reactivity contribute to the development of innovative and high-performance specialty chemical products.

InChI:InChI=1/C7H7ClO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H,9,10,11)

Upstream product

• 108-88-3 toluene 
• 104-15-4 toluene-4-sulfonic acid 
• 95-49-8 2-methylchlorobenzene 
• 98-59-9 p-toluenesulfonyl chloride 
• 36717-39-2 2,2'-dimethyldianilinium sulfate 
• 618-03-1 3-amino-4-methylbenzenesulfonic acid 
• 7647-01-0 hydrogenchloride 
• 42413-03-6 3-chloro-4-methylbenzenesulfonyl chloride 

Downstream Products

• 50-84-0 2,4 dichlorobenzoic acid 
• 95-49-8 2-methylchlorobenzene 
• 6973-13-3 2-nitro-4-methyl-5-chlorobenzenesulfonic acid 
• 7647-01-0 hydrogenchloride 
• 104-15-4 toluene-4-sulfonic acid 
• 80524-34-1 3-Chloro-4-methyl-benzenesulfonic acid 2-oxo-pentyl ester 
• 96923-21-6 2,5-dichloro-toluene-4-sulfonic acid 
• 128992-83-6 3-chloro-4-formyl-benzenesulfonic acid 
• 88-53-9 5-amino-2-chloro-toluene-4-sulfonic acid 
• 51896-27-6 3-chloro-4-methylbenzenesulfonamide 
• 42413-03-6 3-chloro-4-methylbenzenesulfonyl chloride 

Relevant articles and documents

Method for achieving pipe-type continuous production of CLT acid nitride

The invention discloses a method for achieving pipe-type continuous production of CLT acid nitride. The method comprises the steps that 1, methylbenzene and sulfuric acid conduct a sulfonation reaction in a sulfonation pipe reactor; 2, thth sulfonation reaction solution obtained in the first step and chlorine are continuously fed into a chlorination pipe reactor for a chlorination reaction; 3, the chlorination reaction solution obtained in the second step and nitric acid are continuously fed into a nitrification pipe reactor for a nitrification reaction, and then the CLT acid nitride is prepared. According to the method for achieving pipe-type continuous production of the CLT acid nitride, purification treatment does not need to be conducted on an intermediate in the reaction process, operation is easy, the reaction efficiency is high, and the objective product selectivity is high.

Method for producing CLT acid nitride in continuous pipelization mode

The invention discloses a method for producing CLT acid nitride in a continuous pipelization mode. The method includes the following steps that 1, CLT acid sulphonate and chlorine gas are continuously introduced into a chloridizing pipeline reactor to be subjected to a chlorination reaction; 2, a chlorination reaction solution obtained in the step 1 and nitric acid are continuously introduced into a nitrating pipeline reactor to be subjected to a nitratlon reaction to obtain the CLT acid nitride. In the method, it is unnecessary to purify an intermediate in the reaction process, and the method is easy to operate, high in reaction efficiency and high in target product selectivity.

Highly selective oxidative monochlorination to synthesize organic intermediates: 2-Chlorotoluene, 2-chloroaniline, 2-chlorophenol, and 2-chloro-4-methylphenol

An alternative manufacturing process scheme was developed to synthesize monochloro-substituted aromatic compounds in high selectivity, involving oxidalive chlorination by using HCI-H2O2. Thus, 2-chlorotoluene, 2-chloroaniline, and 2-chlorophenol were synthesized by oxidative chlorination followed by desulphonation or decarboxylation. Oxidative chlorination of 4-methylbenzenesulphonic acid, 4-methylbenzoic acid, 4-aminobenzoic acid, and 4-hydroxybenzoic acid by using a suitable ratio of reactantr:HCI:H2O2, and their subsequent desulphonation or decarboxylation, gave 60-85% yield of the desired products. Oxidative chlorination of 4-methylphenol by using HCI-H2O2 gave as high as 98% selectivity to the desired 2-chloro-4-methylphenol.

Aromatic sulfonation 85. Halogen directing and steric effects in the sulfonation of the twelve halogenotoluenes and some related compounds

The isomer distributions for the sulfonation of the twelve halogenotoluenes and some trisubstituted halogenomethylbenzenes, with both 98.4 percent H2SO4 at 25 deg C and sulfur trioxide in nitromethane at 0 deg C, have been determined and found to be very similar.The predominantly para-directing effect of the halogen substituent dominates over that of the methyl substituent: with the 2-halogenotoluenes, the degree of 5-substitution decreases from >/= 90 percent for the fluoro to 50 percent for the iodo compound.The 2- to 3-sulfonation ratio of the 4-halogenotoluenes strongly increases on going from fluorine (0.5) to iodine (7).The ratio of the partial rate factors for the sulfonation of a halogenobenzene ortho and meta to halogen varies from 17 +/- 1 for the fluoro to 1.5 +/- 0.4 for the iodo substituent.In competition to the sulfonation, 2- and 4-iodotoluene undergo deiodination, The latter process is more important with the 4-isomer and with the protic sulfonating reagent.With the aprotic reagent, the reaction proceeds by direct sulfodeiodination, whereas with the sulfuric acid reagent, it proceeds by initial protiodeiodination and sulfodeprotonation.