38939-88-7

Basic information

• Product Name: 3-Chloro-4-nitrotoluene
• Synonyms: 3-Chloro-4-Nitrotoluene98%;2-Chloro-4-methyl-1-nitrobenzene;3-CHLORO-4-NITROTOLUENE 98%;1-Chloro-5-methyl-2-nitrobenzene;5-Methyl-2-nitrochlorobenzene;1-Chloro-2-nitro-5-methylbenzene;1-Nitro-2-chloro-4-methylbenzene;3-chloro-4-Nitrotoluol
• CAS NO: 38939-88-7
• Molecular Formula: C₇H₆ClNO₂
• Molecular Weight: 171.58
• EINECS: 254-199-6
• Product Categories: blocks;NitroCompounds;Aromatic Hydrocarbons (substituted) & Derivatives;Halogen toluene;Aryl;C7;Halogenated Hydrocarbons
• Mol File: 38939-88-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 24-28 °C(lit.)
• Boiling Point: 219 °C(lit.)
• Flash Point: >230 °F
• Appearance: Clear yellow/Liquid After Melting
• Density: 1.3246 (rough estimate)
• Vapor Pressure: 0.00962mmHg at 25°C
• Refractive Index: n20/D 1.564(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-Chloro-4-nitrotoluene(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Chloro-4-nitrotoluene(38939-88-7)
• EPA Substance Registry System: 3-Chloro-4-nitrotoluene(38939-88-7)

Safety Data

• Hazard Codes: Xn,Xi,N
• Statements: 22-36/37/38-20/21/22-52/53
• Safety Statements: 36/37/39-26-61-24/25
• RIDADR: UN 3457 6.1/PG 3
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 38939-88-7(Hazardous Substances Data)

Usage

Chemical Properties

clear yellow liquid after melting

Uses

3-Chloro-4-nitrotoluene is used in the synthesis of quinoxaline derivatives in the development of a positron emission tomography radiotracer for the imaging of N-Methyl-D-aspartate receptor (NMDAR).

InChI:InChI=1/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3

Upstream product

• 615-65-6 2-chloro-4-methyl-benzenamine 
• 3113-72-2 5-methyl-2-nitrobenzoic acid 
• 610-39-9 3,4-Dinitrotoluene 
• 2028-72-0 m-toluenediazonium chloride 
• 540-23-8 p-toluidine hydrochloride 
• 108-41-8 1-chloro-3-methylbenzene 
• 7697-37-2 nitric acid 
• 34648-99-2 4-chloro-2-methyl-5-nitroaniline 
• 578-46-1 5-methyl-2-nitroaniline 

Downstream Products

• 74683-22-0 3'-hydroxy-5-methyl-2-nitrodiphenyl ether 
• 502178-78-1 5-methyl-N-ethyl-2-nitroaniline 
• 945023-34-7 1,6-dimethyl-1H-benzimidazol-2-ylamine 
• 5266-86-4 2-isopropyl-4-methylaniline 
• 1196-79-8 2,5-Dimethyl-1H-indole 
• 3484-35-3 5-methylindolin-2-one 
• 102052-38-0 1-(5-methyl-2-nitrophenyl)propan-2-one 
• 136-85-6 5⁽⁶⁾-methylbenzotriazole 
• 30321-98-3 (5-Methyl-2-nitrophenylthio)essigsaeure 
• 74683-30-0 3'-methoxy-5-methyl-2-nitrodiphenyl ether 
• 77455-53-9 Acetic acid acetoxy-(3-chloro-4-nitro-phenyl)-methyl ester 
• 52062-85-8 (5,5'-dimethyl-2,2'-dinitrophenyl)disulfide 
• 21261-94-9 6-methyl-3-(2-methyl-benzyl)-3H-benzothiazole-2-thione 
• 21261-95-0 6-methyl-3-(4-methyl-benzyl)-3H-benzothiazole-2-thione 

Relevant articles and documents

The polyhedral nature of selenium-catalysed reactions: Se(iv) species instead of Se(vi) species make the difference in the on water selenium-mediated oxidation of arylamines

Selenium-catalysed oxidations are highly sought after in organic synthesis and biology. Herein, we report our studies on the on water selenium mediated oxidation of anilines. In the presence of diphenyl diselenide or benzeneseleninic acid, anilines react with hydrogen peroxide, providing direct and selective access to nitroarenes. On the other hand, the use of selenium dioxide or sodium selenite leads to azoxyarenes. Careful mechanistic analysis and 77Se NMR studies revealed that only Se(iv) species, such as benzeneperoxyseleninic acid, are the active oxidants involved in the catalytic cycle operating in water and leading to nitroarenes. While other selenium-catalysed oxidations occurring in organic solvents have been recently demonstrated to proceed through Se(vi) key intermediates, the on water oxidation of anilines to nitroarenes does not. These findings shed new light on the multifaceted nature of organoselenium-catalysed transformations and open new directions to exploit selenium-based catalysis.

Synthetic method of aryl halide taking aryl carboxylic acid as raw material

A synthetic method of an aryl halide taking aryl carboxylic acid as a raw material is characterized in that a corresponding aryl halide is formed by carrying out substitution reaction on an aryl carboxylic acid compound and haloid salt MX in an organic solvent under the condition that oxygen, a silver catalyst, a copper additive and a bidentate nitrogen ligand exist, wherein M in MX represents alkali metal or alkaline earth metal, and X represents F, Cl, Br or I. Compared with a conventional aryl halide synthetic method, the synthetic method disclosed by the invention has the obvious advantages that reaction raw materials (comprising aryl carboxylic acid and MX) are cheap and easy to obtain, the using amount of a metal catalyst is small, pollution to the environment when the oxygen is used as an oxidant is the smallest, good tolerance to various functional groups on an aromatic ring is obtained, the yield is high, and the like. The synthetic method disclosed by the invention can be widely applied to synthesis in the fields of medicine, materials, natural products and the like in industry and academia.

PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS

Compounds of the formula I or II: wherein X, m, Ar, R1 and R2 are as defined herein. The subject compounds are useful for treatment of IRAK-mediated conditions.