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

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.

Uses

Used in Industrial Syntheses:
2,3,5,6-Tetramethylbenzoic acid is used as an intermediate in industrial syntheses for its unique chemical structure and lipophilic properties. Its ability to interact with other compounds due to its molecular structure makes it a valuable component in the production of various chemical products.

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

Upstream product

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

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.