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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.

50-38-4

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50-38-4 Usage

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.

Check Digit Verification of cas no

The CAS Registry Mumber 50-38-4 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 5 and 0 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 50-38:
(4*5)+(3*0)+(2*3)+(1*8)=34
34 % 10 = 4
So 50-38-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H2Cl4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)

50-38-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3,5,6-Tetrachlorobenzoic acid

1.2 Other means of identification

Product number -
Other names BENZOIC ACID,2,3,5,6-TETRACHLORO

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:50-38-4 SDS

50-38-4Relevant academic research and scientific papers

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

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Paragraph 0040-0043; 0040; 0044; 0047-0054, (2020/10/04)

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 CATALYSTS

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Paragraph 0093; 0095, (2013/04/13)

The use of a complex of the form Z—M—OR in the carboxylation of a substrate is described. The group Z is a two-electron donor ligand, M is a metal and OR is selected from the group consisting of OH, alkoxy and aryloxy. The substrate may be carboxylated at a C—H or N—H bond. The metal M may be copper, silver or gold. The two-electron donor ligand may be a phosphine, a carbene or a phosphite ligand. Also described are methods of manufacture of the complexes and methods for preparing isotopically labelled caboxylic acids and carboxylic acid derivatives.

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

Boogaerts, Ine I. F.,Nolan, Steven P.

supporting information; experimental part, p. 8858 - 8859 (2010/08/21)

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.

Process for the preparation of halogenated benzoic acids

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, (2008/06/13)

A process for the preparation of halogenated benzoic acids of formula (1): STR1 in which R1, R2, R3, R4 and R5 are hydrogen, fluorine, chlorine or bromine atoms or C1 -C6 -alkyl, C1 -C6 -alkoxy, nitro, cyano, trifluoromethyl, aidehyde, C1 -C4 -alkoxycarbonyl, -SO2 -C1 -C4 -alkyl, -SO2 -phenyl, -CONH2, -CON(C1 -C4 -alkyl)2, hydroxy, carboxy, -NH2 or -N(C1 -C4 - alkyl)2 groups, at least one of the substituents R1 -R5 being one of said halogen atoms, which comprises reacting 1 mol of a benzophenone, asymmetrically substituted on the benzene rings A and B, of general formula (2): STR2 in which R1 -R10 are as defined above for R1 -R5, with about 1 to about 10 mol of an oxidizing agent selected from the group comprising hydrogen peroxide, urea/hydrogen peroxide addition product, an alkali metal peroxide, ammonium, alkali metal or alkaline earth metal peroxodisulfates, pertungstates, perborates or percarbonates, ozone, alkyl- or aryl-percarboxylic acids, alkyl- or aryl-persulfonic acids or persulfuric acid, at temperatures from about -20° to about +100° C.

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

Rahman, M. T.

, p. 25 - 30 (2007/10/02)

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.

5,6-Dihydro-1,2,4,6-thiatriazin-5-one-1,1-dioxides

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, (2008/06/13)

5,6-Dihydro-1,2,4,6-thiatriazin-5-one-1,1-dioxides of the formula STR1 where R1 is hydrogen, a metal atom or an unsubstituted or substituted ammonium radical, R2 is a saturated or unsaturated straight-chain aliphatic radical of up to 10 carbon atoms, a cycloaliphatic radical or 3 to 7 carbon atoms, a branched saturated or unsaturated aliphatic radical of 3 to 10 carbon atoms, a halogen-, alkoxy- or alkylmercapto-substituted aliphatic radical of 2 to 10 carbon atoms tetrahydrofuryl substituted methyl, a cycloalkoxy-substituted aliphatic radical of 4 to 10 carbon atoms, unsubstituted or halogen-substituted benzyl or phenyl, halophenyl, or alkylphenyl of a total of up to 10 carbon atoms, R3 is hydrogen, a straight-chain aliphatic radical of up to 10 carbon atoms, a cycloaliphatic radical of 3 to 7 carbon atoms, a branched aliphatic radical of 3 to 10 carbon atoms, haloalkyl, or alkoxyalkyl of 2 to 10 carbon atoms and X is oxygen and may also be sulfur if R2 is unsubstituted or halogen-substituted benzyl, processes for their preparation, and herbicides containing the above compounds.

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