50-38-4

Basic information

• Product Name: 2,3,5,6-TETRAMETHYLBENZOICACID
• Synonyms: 2,3,5,6-TETRACHLORO-BENZOICACID
• CAS NO: 50-38-4
• Molecular Formula: C₇H₂Cl₄O₂
• Molecular Weight: 259.9
• Mol File: 50-38-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 348°Cat760mmHg
• Flash Point: 164.3°C
• Appearance: /
• Density: 1.735g/cm³
• Vapor Pressure: 1.95E-05mmHg at 25°C
• Refractive Index: 1.622
• CAS DataBase Reference: 2,3,5,6-TETRAMETHYLBENZOICACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,5,6-TETRAMETHYLBENZOICACID(50-38-4)
• EPA Substance Registry System: 2,3,5,6-TETRAMETHYLBENZOICACID(50-38-4)

Safety Data

• Hazardous Substances Data: 50-38-4(Hazardous Substances Data)

Usage

General Description

2,3,5,6-Tetramethylbenzoic acid (THMB), also known as Prehn's acid, is a type of organic compound that belongs to the class of chemicals known as benzoic acids and derivatives. These compounds contain a benzene ring that is substituted by a carboxyl group and any number of alkyl groups. Unlike many other benzoic acids, THMB is distinguishable by its unique chemical structure, featuring four methyl groups and a benzoic acid moiety. The addition of these four methyl groups to its molecular structure makes it more lipophilic (fat-liking) compared to its benzoic acid counterpart. This chemical compound exhibits a range of chemical behaviors due to its molecular structure, and can be potentially used in applications such as intermediates in industrial syntheses.

InChI:InChI=1/C7H2Cl4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)

Upstream product

• 124-38-9 carbon dioxide 
• 608-93-5 pentachlorobenzene 
• 95-94-3 1,2,4,5-tetrachlorobenzene 
• 1996-41-4 2-chloro-4-fluorophenol 

Downstream Products

• 4093-18-9 2,3,5,6-tetrachlorobenzoyl chloride 

Relevant articles and documents

Preparation method of 2, 3, 5, 6-tetrachlorobenzoyl chloride

The invention discloses a preparation method of 2, 3, 5, 6-tetrachlorobenzoyl chloride, and relates to the field of organic synthesis. The preparation method comprises the following steps of: synthesizing pentachlorobenzene serving as a raw material and m

Carboxylation of C-H bonds using N -heterocyclic carbene gold(I) complexes

A highly efficient [(NHC)AuI]-based (NHC = N-heterocyclic carbene) catalytic system for the carboxylation of aromatic and heteroaromatic C-H bonds was developed. The significant base strength of the Au-OH species is at the origin of the activation process and permits the facile functionalization of C-H bonds without the use of other organometallic reagents.

THE PREPARATION AND SOME REACTIONS OF 2,3,5,6-TETRACHLOROPHENYLMAGNESIUM CHLORIDE

The reaction of pentachlorobenzene with metallic magnesium in THF at 10-15 deg C gives after hydrolysis 1,2,4,5-tetrachlorobenzene (76percent) and pentachlorobenzene (8percent); after trimethylsilylation, 1,2,4,5-tetrachloro-3-(trimethylsilyl)benzene (74percent), pentachloro(trimethylsilyl)benzene (8percent) and 1,2,4,5-tetrachlorobenzene (6percent); after iodination, 1,2,4,5-tetrachloroiodobenzene (44percent), pentachloroiodobenzene (12percent) and 1,2,4,5-tetrachlorobenzene (9percent); and finally after carbonation, 2,3,5,6-tetrachlorobenzoic acid (58percent).These products indicate that in the Grignard reaction a mixture of largely 2,3,5,6-tetrachlorophenylmagnesium chloride and some pentachlorophenylmagnesium chloride is formed.The formation of pentachlorophenylmagnesium chloride is explained on the basis of metal-hydrogen exchange reaction between 2,3,5,6-tetrachlorophenylmagnesium chloride and the unreacted pentachlorobenzene.