7697-26-9

Basic information

• Product Name: 3-Bromo-4-methylbenzoic acid
• Synonyms: 3-BROMO-4-METHYLBENZOIC ACID;AKOS BBB/219;3-Bromo-p-toluic acid;3-BROMO-4-METHYLBENZOIC ACID, TECH., 85%;3-Bromo-4-methylbenzoic acid, 98+%;3-Bromo-4-methylbenzoic acid 90%;4-methyl-3-bromobenzoic acid;-Bromo-4-methylbenzoic acid
• CAS NO: 7697-26-9
• Molecular Formula: C₈H₇BrO₂
• Molecular Weight: 215.04
• EINECS: 231-712-1
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Bromine Compounds;Acids & Esters;C8;Carbonyl Compounds;Carboxylic Acids
• Mol File: 7697-26-9.mol
• Article Data: 13

Chemical Properties

• Melting Point: 200-202 °C(lit.)
• Boiling Point: 329.8 °C at 760 mmHg
• Flash Point: 153.3 °C
• Appearance: White to light yellow crystal powder
• Density: 1.599 g/cm³
• Vapor Pressure: 6.97E-05mmHg at 25°C
• Storage Temp.: Room temperature.
• PKA: 3.98±0.10(Predicted)
• Water Solubility: Soluble in methanol. Insoluble in water.
• BRN: 1936510
• CAS DataBase Reference: 3-Bromo-4-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromo-4-methylbenzoic acid(7697-26-9)
• EPA Substance Registry System: 3-Bromo-4-methylbenzoic acid(7697-26-9)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-37/38-36
• Safety Statements: 26-37
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• HazardClass: IRRITANT
• PackingGroup: Ⅲ
• Hazardous Substances Data: 7697-26-9(Hazardous Substances Data)

Usage

Description

3-Bromo-4-methylbenzoic acid is an organic compound that features a bromine atom at the 3-position and a methyl group at the 4-position on a benzene ring, with a carboxylic acid functional group. It is a white crystalline solid and is known for its chemical reactivity and potential applications in various fields.

Uses

Used in Pharmaceutical Synthesis:
3-Bromo-4-methylbenzoic acid is used as a key intermediate in the synthesis of biphenyl amides and 2-benzazepine-4-acetic acid derivatives. These compounds have potential applications as pharmaceutical agents, with the former being used in the development of non-steroidal anti-inflammatory drugs and the latter as a potent, nonpeptide GPIIb/IIIa antagonist.
Used in Organic Chemistry:
As a versatile organic building block, 3-Bromo-4-methylbenzoic acid is used in the synthesis of various organic compounds, such as O-spiro C-aryl glucosides. These glucosides have potential applications in the development of new pharmaceuticals and agrochemicals.
Used in Catalysis:
3-Bromo-4-methylbenzoic acid is used as a catalytic agent in various chemical reactions, such as esterification, transesterification, and other organic transformations. Its presence can enhance the reaction rate and selectivity, making it a valuable component in the development of new catalytic processes.
Used in Petrochemical Industry:
3-Bromo-4-methylbenzoic acid is also used as a petrochemical additive, where it can improve the performance and properties of various petrochemical products. Its addition can lead to enhanced stability, reactivity, or other desirable characteristics in the final product.

InChI:InChI=1/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)/p-1

Upstream product

• 17070-97-2 2-bromo-4-ethyl-1-methyl-benzene 
• 42872-74-2 3-bromo-4-methyl-benzonitrile 
• 501356-96-3 2-bromo-1-methyl-4-propyl-benzene 
• 99-94-5 p-Toluic acid 
• 94-08-6 4-methylbenzoic acid ethyl ester 
• 553-94-6 4-bromo-m-xylene 
• 2458-12-0 3-amino-p-toluic acid 
• 76-05-1 trifluoroacetic acid 
• 7726-95-6 bromine 
• 56-23-5 tetrachloromethane 
• 7664-93-9 sulfuric acid 
• 7697-37-2 nitric acid 
• 1074-55-1 p-n-propyltoluene 
• 64-17-5 ethanol 

Downstream Products

• 586-30-1 3-hydroxy-4-methylbenzoic acid 
• 586-35-6 2-bromo-1,4-benzenedicarboxylic acid 
• 160952-57-8 3-bromo-4-methylbenzoic acid tert-butyl ester 
• 21900-33-4 3-bromo-4-methylbenzoyl chloride 
• 99-94-5 p-Toluic acid 
• 866721-92-8 3-bromo-4-(bromomethyl)benzoic acid 
• 160952-47-6 t-butyl 3-bromo-4-[[(2-phenylethyl)amino]methyl]-benzoate 
• 160952-48-7 t-butyl 3-bromo-4-[[[N-(2-phenylethyl)-N-t-butoxycarbonyl]amino]methyl]benzoate 
• 160952-52-3 (+/-)-7-carboxy-3-oxo-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepine-4-acetate 
• 165529-03-3 methyl 3-methoxycarbonyl-4-[5-carboxy-2-[[N-(2-phenylethyl)amino]methyl]phenyl]butanoate 
• 165529-02-2 methyl 3-methoxycarbonyl-4-[5-(t-butoxycarbonyl)-2-[[[N-(2-phenylethyl)-N-t-butoxycarbonyl]amino]methyl]-phenyl]butanoate 
• 165529-01-1 2-[1-{5-tert-Butoxycarbonyl-2-[(tert-butoxycarbonyl-phenethyl-amino)-methyl]-phenyl}-meth-(Z)-ylidene]-succinic acid dimethyl ester 
• 171049-49-3 methyl (R,S)-7-[[[4-(aminoiminomethyl)phenyl]methylamino]-carbonyl]-2,3,4,5-tetrahydro-3-oxo-2-(2-phenylethyl)-1H-2-benzazepine-4-acetate 
• 160952-53-4 {7-[(4-{Amino-[(E)-benzyloxycarbonylimino]-methyl}-phenyl)-methyl-carbamoyl]-3-oxo-2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl}-acetic acid methyl ester 

Relevant articles and documents

Industrialized synthetic method for halogen benzoic acid derivative

The invention discloses an industrialized synthetic method for a halogen benzoic acid derivative. The formula (I) of the halogen benzoic acid derivative is shown in the description, wherein a plurality of Rs are alkyls of C1-C20, and a plurality of Xs are halogens; the industrialized synthetic method comprises the following steps that alkyl substituted benzoic acid and water are added into a reaction container, halogen simple substances are added, a heating reaction is performed, the reaction is complete, and post processing is performed to obtain the target product halogen benzoic acid derivative. According to the industrialized synthetic method for the halogen benzoic acid derivative, no solvent needs to be recycled, little consumption is consumed, little waste gas, water and industrialresidues are caused, and by-product haloid acid can be directly sold or used for producing other products; accordingly, the industrialized synthetic method for the halogen benzoic acid derivative is safe, environmentally friendly and low in cost, and therefore the wide industrial application prospect is achieved.

Bromodecarbonylation and bromodecarboxylation of electron-rich benzaldehydes and benzoic acids with oxone and sodium bromide

Benzaldehydes and benzoic acids bearing ortho- and paraelectron donating substituents having unshared electron-pair have undergone bromodecarbonylation or bromodecarboxylation on treatment with sodium bromide in the presence of Oxone in aqueous methanol.

CATALYTIC AND STOICHIOMETRIC BROMINATION OF AROMATIC COMPOUNDS IN AQUEOUS TRIFLUOROACETIC ACID IN THE PRESENCE OF NITROGEN-CONTAINING OXIDIZING AGENTS

The mono- and polybromination of benzene, halogenobenzenes, toluene, p-xylene, anisole, biphenyl, benzotrifluoride, benzoic acid, p-nitro- and p-carboxytoluene, p-methoxybenzonitrile, tetralin, and naphtalene were studied in trifluoroacetic acid and its aqueous solutions in systems containing stoichiometric amounts of bromine or alkali-metal bromide and stoichiometric or catalytic (in the presence of oxygen or air) amounts of nitrogen-containing oxidizing agent (nitrogen(IV) oxide, alkali-metal nitrate or nitrite).It is suggested that the brominating agent under the investigated conditions is nitryl bromide NO2Br.Under the conditions of catalytic bromination anthracene is oxidized to anthraquinone with a preparative yield.