616-83-1

Basic information

• Product Name: 4-Methyl-3-nitrobenzene-1-sulfonyl chloride
• Synonyms: 3-Nitro-4-methylbenzenesulfonylchloride;4-METHYL-3-NITROBENZENE-1-SULFONYL CHLORIDE;4-METHYL-3-NITROBENZENESULFONYL CHLORIDE;3-NITRO-P-TOLUENESULFONYL CHLORIDE;3-NITRO-4-METHYL PHENYLSULFONYL CHLORIDE;2-NITROTOLUENE-4-SULFONYL CHLORIDE;BUTTPARK 95\04-09;4-methyl-3-nitrobenzene-1-sulphonyl chloride
• CAS NO: 616-83-1
• Molecular Formula: C₇H₆ClNO₄S
• Molecular Weight: 235.64
• EINECS: -0
• Product Categories: Benzene derivates;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds
• Mol File: 616-83-1.mol
• Article Data: 9

Chemical Properties

• Melting Point: 30-34 °C(lit.)
• Boiling Point: 152-154°C 1mm
• Flash Point: >230 °F
• Appearance: /
• Density: 1.528g/cm³
• Vapor Pressure: 0.00016mmHg at 25°C
• Refractive Index: 1.576
• Solubility: soluble in Toluene
• Sensitive: Moisture Sensitive
• BRN: 2696481
• CAS DataBase Reference: 4-Methyl-3-nitrobenzene-1-sulfonyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methyl-3-nitrobenzene-1-sulfonyl chloride(616-83-1)
• EPA Substance Registry System: 4-Methyl-3-nitrobenzene-1-sulfonyl chloride(616-83-1)

Safety Data

• Hazard Codes: C,Xi
• Statements: 34-29-14
• Safety Statements: 26-36/37/39-45-8-30-22
• RIDADR: UN 3261 8/PG 3
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 616-83-1(Hazardous Substances Data)

Usage

General Description

4-Methyl-3-nitrobenzene-1-sulfonyl chloride, also known as nitrobenzenesulfonyl chloride, is a chemical compound with the formula C7H6ClNO4S. It is a yellow crystalline solid that is soluble in organic solvents. 4-Methyl-3-nitrobenzene-1-sulfonyl chloride is used as a reagent in the synthesis of various pharmaceuticals and agrochemicals. It is also utilized in the preparation of dyes and pigments, as well as in organic synthesis reactions to introduce the sulfonyl chloride functional group. 4-Methyl-3-nitrobenzene-1-sulfonyl chloride is highly reactive and should be handled with caution due to its potential for causing irritation and burns upon contact with skin or eyes. Additionally, it is important to handle this compound in a well-ventilated area due to its potential to release toxic fumes.

InChI:InChI=1/C7H6ClNO4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3

Upstream product

• 98-59-9 p-toluenesulfonyl chloride 
• 88-72-2 1-methyl-2-nitrobenzene 
• 5329-14-6 aminosulfonic acid 
• 119-32-4 4-Methyl-3-nitroanilin 

Downstream Products

• 719262-57-4 3-amino-4-methyl-thiophenol 
• 6949-23-1 4-methyl-3-nitrobenzenesulfonamide 
• 120893-18-7 4-methyl-3-nitrobenzenesulfonyl azide 
• 463314-90-1 2-(4'-methyl-3'-nitrobenzenesulfonyl)-L-glutamic acid 
• 463314-96-7 2-(4'-methyl-3'-nitrobenzenesulfonyl)-L-glutamic acid dichloride 
• 302552-68-7 4-methyl-1-(4-methyl-3-nitro-benzenesulfonyl)piperidine 
• 1161341-67-8 N-(3-(benzo[d]thiazol-2-yl)-4-methylthiophen-2-yl)-3-nitro-4-methylbenzenesulfonamide 

Relevant articles and documents

A method for preparing of mesotrione

The invention provides a preparation method of mesotrione. The preparation method comprises is capable of preparing the target product from raw materials such as ortho-nitrotoluene, chlorosulfonic acid, sulfoxide chloride, sodium sulfite, chloroactic acid, 1,3-cyclohexanedione in the presence of a catalyst and acid-base. The preparation method is based on common chemical raw materials, the reaction flow of each step is implemented under conventional operation conditions, the amount of three wastes is low, the total yield is above 61%, the purity of the product is high, the purity of the coarse product of the mesotrione is greater than 98%, and the coarse product of the mesotrione can be further purified; as a result, the preparation method of mesotrione is applicable to large-scale industrial production.

SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS

The present invention relates to novel sulfone compounds as 5-HT6 receptor ligands of the formula (I), and their derivatives, prodrugs, tautomers, stereoisomers, polymorphs, solvates, hydrates, metabolites, N-oxides, pharmaceutically acceptable

Synthesis, screening and quantitative structure-activity relationship (QSAR) studies of some glutamine analogues for possible anticancer activity

We described the syntheses, biological activities and QSAR studies of 36 new 5-n-substituted-2-(substituted benzenesulphonyl) glutamines 6-41 with different substitutions. These compounds were designed as structural analogues of most reactive amino acid, 'glutamine' (GLN), especially in the tumor cells. They present the new basic lateral chains at R5 position as well as different substitutions at 2′, 3′, 4′, and 5′ positions on the benzene ring. The synthesized compounds have been tested for antitumor activity against Ehrlich ascites carcinoma (EAC) in Swiss albino mice using percentage inhibition of tumor weight as inhibitory parameter. In order to elucidate the structural requirements for antitumor activity, quantitative structure-activity relationship (QSAR) studies have been performed using extra thermodynamic model of Hansch. QSAR equations showed that the electronic parameter (σ) on the aromatic ring system, steric parameter (Es) and to some extent Sterimol length of the substituent (L) on the aliphatic side chain correlate significantly with the antitumor activity. Resonance factor occupies the major electronic contribution on the aromatic ring system to the activity.